N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride

C212H243ClN48O39S9 — CID 157257440

IUPACN-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride
SMILESCC(C)(COc1cccc2c1C(N)=NCC2)NC(=O)c1ccnc(-[n+]2cc[nH]c2N)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-c2ccccc2)c1.CC(C)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCCCC2)ccn1.COc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)cc(-n2ccnc2)n1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.[Cl-]
InChIInChI=1S/C24H24N4O4S.C23H29N5O4S.C22H25N7O2.C22H24N6O5S.C21H25N5O4S.C21H26N4O4S.C20H23N5O4S.C20H22N4O4S.C20H24N4O4S.C19H20N4O4S.ClH/c1-24(2,15-32-20-10-6-9-18-14-33(30,31)28-22(25)21(18)20)27-23(29)17-11-12-26-19(13-17)16-7-4-3-5-8-16;1-28(2)19-13-16(9-12-25-19)22(29)26-23(10-4-3-5-11-23)15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18;1-22(2,13-31-16-5-3-4-14-6-9-26-19(23)18(14)16)28-20(30)15-7-8-25-17(12-15)29-11-10-27-21(29)24;1-22(2,12-33-16-6-4-5-14-11-34(30,31)27-20(23)19(14)16)26-21(29)15-9-17(25-18(10-15)32-3)28-8-7-24-13-28;1-26(2)17-11-14(7-10-23-17)20(27)24-21(8-4-9-21)13-30-16-6-3-5-15-12-31(28,29)25-19(22)18(15)16;1-13(2)16-10-14(8-9-23-16)20(26)24-21(3,4)12-29-17-7-5-6-15-11-30(27,28)25-19(22)18(15)17;1-25(2)16-10-13(6-9-22-16)19(26)23-20(7-8-20)12-29-15-5-3-4-14-11-30(27,28)24-18(21)17(14)15;1-13-10-14(6-9-22-13)19(25)23-20(7-3-8-20)12-28-16-5-2-4-15-11-29(26,27)24-18(21)17(15)16;1-4-15-10-13(8-9-22-15)19(25)23-20(2,3)12-28-16-7-5-6-14-11-29(26,27)24-18(21)17(14)16;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;/h3-13H,14-15H2,1-2H3,(H2,25,28)(H,27,29);6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,24,27)(H,26,29);3-5,7-8,10-12H,6,9,13H2,1-2H3,(H5,23,24,26,27,28,30);4-10,13H,11-12H2,1-3H3,(H2,23,27)(H,26,29);3,5-7,10-11H,4,8-9,12-13H2,1-2H3,(H2,22,25)(H,24,27);5-10,13H,11-12H2,1-4H3,(H2,22,25)(H,24,26);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,24)(H,23,26);2,4-6,9-10H,3,7-8,11-12H2,1H3,(H2,21,24)(H,23,25);5-10H,4,11-12H2,1-3H3,(H2,21,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);1H
InChIKeyBBBJSYKKAZBCNR-UHFFFAOYSA-N
MW4411.63 g/mol
LogP14.16
Rot. Bonds59

About N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride

N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride (PubChem CID 157257440) has the molecular formula C212H243ClN48O39S9 and a molecular weight of 4411.63 g/mol. Its IUPAC name is N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride.

Molecular Properties

Compound NameN-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride
PubChem CID157257440
Molecular FormulaC212H243ClN48O39S9
Molecular Weight4411.63 g/mol
Exact Mass4407.57
IUPAC NameN-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride
SMILESCC(C)(COc1cccc2c1C(N)=NCC2)NC(=O)c1ccnc(-[n+]2cc[nH]c2N)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-c2ccccc2)c1.CC(C)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCCCC2)ccn1.COc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)cc(-n2ccnc2)n1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.[Cl-]
InChIInChI=1S/C24H24N4O4S.C23H29N5O4S.C22H25N7O2.C22H24N6O5S.C21H25N5O4S.C21H26N4O4S.C20H23N5O4S.C20H22N4O4S.C20H24N4O4S.C19H20N4O4S.ClH/c1-24(2,15-32-20-10-6-9-18-14-33(30,31)28-22(25)21(18)20)27-23(29)17-11-12-26-19(13-17)16-7-4-3-5-8-16;1-28(2)19-13-16(9-12-25-19)22(29)26-23(10-4-3-5-11-23)15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18;1-22(2,13-31-16-5-3-4-14-6-9-26-19(23)18(14)16)28-20(30)15-7-8-25-17(12-15)29-11-10-27-21(29)24;1-22(2,12-33-16-6-4-5-14-11-34(30,31)27-20(23)19(14)16)26-21(29)15-9-17(25-18(10-15)32-3)28-8-7-24-13-28;1-26(2)17-11-14(7-10-23-17)20(27)24-21(8-4-9-21)13-30-16-6-3-5-15-12-31(28,29)25-19(22)18(15)16;1-13(2)16-10-14(8-9-23-16)20(26)24-21(3,4)12-29-17-7-5-6-15-11-30(27,28)25-19(22)18(15)17;1-25(2)16-10-13(6-9-22-16)19(26)23-20(7-8-20)12-29-15-5-3-4-14-11-30(27,28)24-18(21)17(14)15;1-13-10-14(6-9-22-13)19(25)23-20(7-3-8-20)12-28-16-5-2-4-15-11-29(26,27)24-18(21)17(15)16;1-4-15-10-13(8-9-22-15)19(25)23-20(2,3)12-28-16-7-5-6-14-11-29(26,27)24-18(21)17(14)16;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;/h3-13H,14-15H2,1-2H3,(H2,25,28)(H,27,29);6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,24,27)(H,26,29);3-5,7-8,10-12H,6,9,13H2,1-2H3,(H5,23,24,26,27,28,30);4-10,13H,11-12H2,1-3H3,(H2,23,27)(H,26,29);3,5-7,10-11H,4,8-9,12-13H2,1-2H3,(H2,22,25)(H,24,27);5-10,13H,11-12H2,1-4H3,(H2,22,25)(H,24,26);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,24)(H,23,26);2,4-6,9-10H,3,7-8,11-12H2,1H3,(H2,21,24)(H,23,25);5-10H,4,11-12H2,1-3H3,(H2,21,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);1H
InChIKeyBBBJSYKKAZBCNR-UHFFFAOYSA-N
XLogP14.16
TPSA1285.72 Ų
H-Bond Donors22
H-Bond Acceptors66
Rotatable Bonds59
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004411.63
LogP ≤ 514.16
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1066

Analyze N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride with MolForge

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What is the IUPAC name of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride?
The IUPAC name of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride (CID 157257440) is N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride.
What is the SMILES notation for N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride?
The canonical SMILES for N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride is CC(C)(COc1cccc2c1C(N)=NCC2)NC(=O)c1ccnc(-[n+]2cc[nH]c2N)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-c2ccccc2)c1.CC(C)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCCCC2)ccn1.COc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)cc(-n2ccnc2)n1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.[Cl-].
What is the InChIKey of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride?
The InChIKey is BBBJSYKKAZBCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S.C23H29N5O4S.C22H25N7O2.C22H24N6O5S.C21H25N5O4S.C21H26N4O4S.C20H23N5O4S.C20H22N4O4S.C20H24N4O4S.C19H20N4O4S.ClH/c1-24(2,15-32-20-10-6-9-18-14-33(30,31)28-22(25)21(18)20)27-23(29)17-11-12-26-19(13-17)16-7-4-3-5-8-16;1-28(2)19-13-16(9-12-25-19)22(29)26-23(10-4-3-5-11-23)15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18;1-22(2,13-31-16-5-3-4-14-6-9-26-19(23)18(14)16)28-20(30)15-7-8-25-17(12-15)29-11-10-27-21(29)24;1-22(2,12-33-16-6-4-5-14-11-34(30,31)27-20(23)19(14)16)26-21(29)15-9-17(25-18(10-15)32-3)28-8-7-24-13-28;1-26(2)17-11-14(7-10-23-17)20(27)24-21(8-4-9-21)13-30-16-6-3-5-15-12-31(28,29)25-19(22)18(15)16;1-13(2)16-10-14(8-9-23-16)20(26)24-21(3,4)12-29-17-7-5-6-15-11-30(27,28)25-19(22)18(15)17;1-25(2)16-10-13(6-9-22-16)19(26)23-20(7-8-20)12-29-15-5-3-4-14-11-30(27,28)24-18(21)17(14)15;1-13-10-14(6-9-22-13)19(25)23-20(7-3-8-20)12-28-16-5-2-4-15-11-29(26,27)24-18(21)17(15)16;1-4-15-10-13(8-9-22-15)19(25)23-20(2,3)12-28-16-7-5-6-14-11-29(26,27)24-18(21)17(14)16;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;/h3-13H,14-15H2,1-2H3,(H2,25,28)(H,27,29);6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,24,27)(H,26,29);3-5,7-8,10-12H,6,9,13H2,1-2H3,(H5,23,24,26,27,28,30);4-10,13H,11-12H2,1-3H3,(H2,23,27)(H,26,29);3,5-7,10-11H,4,8-9,12-13H2,1-2H3,(H2,22,25)(H,24,27);5-10,13H,11-12H2,1-4H3,(H2,22,25)(H,24,26);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,24)(H,23,26);2,4-6,9-10H,3,7-8,11-12H2,1H3,(H2,21,24)(H,23,25);5-10H,4,11-12H2,1-3H3,(H2,21,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);1H.
What are the key properties of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride?
N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride has a molecular weight of 4411.63 g/mol, XLogP of 14.16, 59 rotatable bonds, 22 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-yl-6-methoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-propan-2-ylpyridine-4-carboxamide;chloride is sourced from PubChem (CID 157257440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).