2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C260H294F3N71O58S12+2 — CID 160537117

IUPAC2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccnc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc(C#N)c2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc(C(N)=O)c2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCC2=O)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(NCCO)c1.CC1=CC(C)[N+](c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)=N1.CN1CC(=O)N(c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)C1=O.CNC(=O)c1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cn1.COCCNc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1cc(=O)n(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N7O5S.C23H26N6O4S.C22H23N7O5S.C22H21N7O4S.C22H24N6O6S.C22H24N6O5S.C22H28N6O4S.C22H25N5O5S.C21H22N6O4S.C21H27N5O5S.C20H25N5O5S.C18H21N5O4S.C2HF3O2/c1-23(2,12-35-17-6-4-5-15-11-36(33,34)29-20(24)19(15)17)28-21(31)14-7-8-26-18(9-14)30-10-16(27-13-30)22(32)25-3;1-14-10-15(2)29(27-14)19-11-16(8-9-25-19)22(30)26-23(3,4)13-33-18-7-5-6-17-12-34(31,32)28-21(24)20(17)18;1-22(2,11-34-16-5-3-4-14-10-35(32,33)28-19(23)18(14)16)27-21(31)13-6-7-25-17(8-13)29-9-15(20(24)30)26-12-29;1-22(2,12-33-17-5-3-4-15-11-34(31,32)28-20(24)19(15)17)27-21(30)14-6-7-25-18(8-14)29-10-16(9-23)26-13-29;1-22(2,12-34-15-6-4-5-14-11-35(32,33)26-19(23)18(14)15)25-20(30)13-7-8-24-16(9-13)28-17(29)10-27(3)21(28)31;1-13-9-18(29)28(26-13)17-10-14(7-8-24-17)21(30)25-22(2,3)12-33-16-6-4-5-15-11-34(31,32)27-20(23)19(15)16;1-22(2,14-32-17-5-3-4-16-13-33(30,31)27-20(23)19(16)17)26-21(29)15-6-7-25-18(12-15)28-10-8-24-9-11-28;1-22(2,13-32-16-6-3-5-15-12-33(30,31)26-20(23)19(15)16)25-21(29)14-8-9-24-17(11-14)27-10-4-7-18(27)28;1-21(2,25-20(28)14-6-7-24-17(10-14)27-9-8-23-13-27)12-31-16-5-3-4-15-11-32(29,30)26-19(22)18(15)16;1-21(2,25-20(27)14-7-8-23-17(11-14)24-9-10-30-3)13-31-16-6-4-5-15-12-32(28,29)26-19(22)18(15)16;1-20(2,24-19(27)13-6-7-22-16(10-13)23-8-9-26)12-30-15-5-3-4-14-11-31(28,29)25-18(21)17(14)15;1-18(2,22-17(24)11-6-7-21-14(19)8-11)10-27-13-5-3-4-12-9-28(25,26)23-16(20)15(12)13;3-2(4,5)1(6)7/h4-10,13H,11-12H2,1-3H3,(H2,24,29)(H,25,32)(H,28,31);5-11,15H,12-13H2,1-4H3,(H2-,24,26,28,30);3-9,12H,10-11H2,1-2H3,(H2,23,28)(H2,24,30)(H,27,31);3-8,10,13H,11-12H2,1-2H3,(H2,24,28)(H,27,30);4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,30);4-10,26H,11-12H2,1-3H3,(H2,23,27)(H,25,30);3-7,12,24H,8-11,13-14H2,1-2H3,(H2,23,27)(H,26,29);3,5-6,8-9,11H,4,7,10,12-13H2,1-2H3,(H2,23,26)(H,25,29);3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,25,28);4-8,11H,9-10,12-13H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27);3-7,10,26H,8-9,11-12H2,1-2H3,(H2,21,25)(H,22,23)(H,24,27);3-8H,9-10H2,1-2H3,(H2,19,21)(H2,20,23)(H,22,24);(H,6,7)/p+2
InChIKeyLIILTYWNLKTDMM-UHFFFAOYSA-P
MW5783.45 g/mol
LogP12.46
Rot. Bonds78

About 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid

2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 160537117) has the molecular formula C260H294F3N71O58S12+2 and a molecular weight of 5783.45 g/mol. Its IUPAC name is 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID160537117
Molecular FormulaC260H294F3N71O58S12+2
Molecular Weight5783.45 g/mol
Exact Mass5778.88
IUPAC Name2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccnc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc(C#N)c2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc(C(N)=O)c2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCC2=O)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(NCCO)c1.CC1=CC(C)[N+](c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)=N1.CN1CC(=O)N(c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)C1=O.CNC(=O)c1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cn1.COCCNc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1cc(=O)n(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N7O5S.C23H26N6O4S.C22H23N7O5S.C22H21N7O4S.C22H24N6O6S.C22H24N6O5S.C22H28N6O4S.C22H25N5O5S.C21H22N6O4S.C21H27N5O5S.C20H25N5O5S.C18H21N5O4S.C2HF3O2/c1-23(2,12-35-17-6-4-5-15-11-36(33,34)29-20(24)19(15)17)28-21(31)14-7-8-26-18(9-14)30-10-16(27-13-30)22(32)25-3;1-14-10-15(2)29(27-14)19-11-16(8-9-25-19)22(30)26-23(3,4)13-33-18-7-5-6-17-12-34(31,32)28-21(24)20(17)18;1-22(2,11-34-16-5-3-4-14-10-35(32,33)28-19(23)18(14)16)27-21(31)13-6-7-25-17(8-13)29-9-15(20(24)30)26-12-29;1-22(2,12-33-17-5-3-4-15-11-34(31,32)28-20(24)19(15)17)27-21(30)14-6-7-25-18(8-14)29-10-16(9-23)26-13-29;1-22(2,12-34-15-6-4-5-14-11-35(32,33)26-19(23)18(14)15)25-20(30)13-7-8-24-16(9-13)28-17(29)10-27(3)21(28)31;1-13-9-18(29)28(26-13)17-10-14(7-8-24-17)21(30)25-22(2,3)12-33-16-6-4-5-15-11-34(31,32)27-20(23)19(15)16;1-22(2,14-32-17-5-3-4-16-13-33(30,31)27-20(23)19(16)17)26-21(29)15-6-7-25-18(12-15)28-10-8-24-9-11-28;1-22(2,13-32-16-6-3-5-15-12-33(30,31)26-20(23)19(15)16)25-21(29)14-8-9-24-17(11-14)27-10-4-7-18(27)28;1-21(2,25-20(28)14-6-7-24-17(10-14)27-9-8-23-13-27)12-31-16-5-3-4-15-11-32(29,30)26-19(22)18(15)16;1-21(2,25-20(27)14-7-8-23-17(11-14)24-9-10-30-3)13-31-16-6-4-5-15-12-32(28,29)26-19(22)18(15)16;1-20(2,24-19(27)13-6-7-22-16(10-13)23-8-9-26)12-30-15-5-3-4-14-11-31(28,29)25-18(21)17(14)15;1-18(2,22-17(24)11-6-7-21-14(19)8-11)10-27-13-5-3-4-12-9-28(25,26)23-16(20)15(12)13;3-2(4,5)1(6)7/h4-10,13H,11-12H2,1-3H3,(H2,24,29)(H,25,32)(H,28,31);5-11,15H,12-13H2,1-4H3,(H2-,24,26,28,30);3-9,12H,10-11H2,1-2H3,(H2,23,28)(H2,24,30)(H,27,31);3-8,10,13H,11-12H2,1-2H3,(H2,24,28)(H,27,30);4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,30);4-10,26H,11-12H2,1-3H3,(H2,23,27)(H,25,30);3-7,12,24H,8-11,13-14H2,1-2H3,(H2,23,27)(H,26,29);3,5-6,8-9,11H,4,7,10,12-13H2,1-2H3,(H2,23,26)(H,25,29);3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,25,28);4-8,11H,9-10,12-13H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27);3-7,10,26H,8-9,11-12H2,1-2H3,(H2,21,25)(H,22,23)(H,24,27);3-8H,9-10H2,1-2H3,(H2,19,21)(H2,20,23)(H,22,24);(H,6,7)/p+2
InChIKeyLIILTYWNLKTDMM-UHFFFAOYSA-P
XLogP12.46
TPSA1902.92 Ų
H-Bond Donors33
H-Bond Acceptors96
Rotatable Bonds78
Heavy Atoms404
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005783.45
LogP ≤ 512.46
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1096

Analyze 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 160537117) is 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccnc2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc(C#N)c2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2cnc(C(N)=O)c2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCC2=O)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(NCCO)c1.CC1=CC(C)[N+](c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)=N1.CN1CC(=O)N(c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)C1=O.CNC(=O)c1cn(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cn1.COCCNc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1cc(=O)n(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LIILTYWNLKTDMM-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H25N7O5S.C23H26N6O4S.C22H23N7O5S.C22H21N7O4S.C22H24N6O6S.C22H24N6O5S.C22H28N6O4S.C22H25N5O5S.C21H22N6O4S.C21H27N5O5S.C20H25N5O5S.C18H21N5O4S.C2HF3O2/c1-23(2,12-35-17-6-4-5-15-11-36(33,34)29-20(24)19(15)17)28-21(31)14-7-8-26-18(9-14)30-10-16(27-13-30)22(32)25-3;1-14-10-15(2)29(27-14)19-11-16(8-9-25-19)22(30)26-23(3,4)13-33-18-7-5-6-17-12-34(31,32)28-21(24)20(17)18;1-22(2,11-34-16-5-3-4-14-10-35(32,33)28-19(23)18(14)16)27-21(31)13-6-7-25-17(8-13)29-9-15(20(24)30)26-12-29;1-22(2,12-33-17-5-3-4-15-11-34(31,32)28-20(24)19(15)17)27-21(30)14-6-7-25-18(8-14)29-10-16(9-23)26-13-29;1-22(2,12-34-15-6-4-5-14-11-35(32,33)26-19(23)18(14)15)25-20(30)13-7-8-24-16(9-13)28-17(29)10-27(3)21(28)31;1-13-9-18(29)28(26-13)17-10-14(7-8-24-17)21(30)25-22(2,3)12-33-16-6-4-5-15-11-34(31,32)27-20(23)19(15)16;1-22(2,14-32-17-5-3-4-16-13-33(30,31)27-20(23)19(16)17)26-21(29)15-6-7-25-18(12-15)28-10-8-24-9-11-28;1-22(2,13-32-16-6-3-5-15-12-33(30,31)26-20(23)19(15)16)25-21(29)14-8-9-24-17(11-14)27-10-4-7-18(27)28;1-21(2,25-20(28)14-6-7-24-17(10-14)27-9-8-23-13-27)12-31-16-5-3-4-15-11-32(29,30)26-19(22)18(15)16;1-21(2,25-20(27)14-7-8-23-17(11-14)24-9-10-30-3)13-31-16-6-4-5-15-12-32(28,29)26-19(22)18(15)16;1-20(2,24-19(27)13-6-7-22-16(10-13)23-8-9-26)12-30-15-5-3-4-14-11-31(28,29)25-18(21)17(14)15;1-18(2,22-17(24)11-6-7-21-14(19)8-11)10-27-13-5-3-4-12-9-28(25,26)23-16(20)15(12)13;3-2(4,5)1(6)7/h4-10,13H,11-12H2,1-3H3,(H2,24,29)(H,25,32)(H,28,31);5-11,15H,12-13H2,1-4H3,(H2-,24,26,28,30);3-9,12H,10-11H2,1-2H3,(H2,23,28)(H2,24,30)(H,27,31);3-8,10,13H,11-12H2,1-2H3,(H2,24,28)(H,27,30);4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,30);4-10,26H,11-12H2,1-3H3,(H2,23,27)(H,25,30);3-7,12,24H,8-11,13-14H2,1-2H3,(H2,23,27)(H,26,29);3,5-6,8-9,11H,4,7,10,12-13H2,1-2H3,(H2,23,26)(H,25,29);3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,25,28);4-8,11H,9-10,12-13H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27);3-7,10,26H,8-9,11-12H2,1-2H3,(H2,21,25)(H,22,23)(H,24,27);3-8H,9-10H2,1-2H3,(H2,19,21)(H2,20,23)(H,22,24);(H,6,7)/p+2.
What are the key properties of 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 5783.45 g/mol, XLogP of 12.46, 78 rotatable bonds, 33 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-carbamoylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-cyanoimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethyl-3H-pyrazol-2-ium-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methoxyethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperazin-4-ium-1-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160537117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).