N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C162H175N35O32S7 — CID 158200646

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccn2ncnc2c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(CC(=O)C2CC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(OC2CCCCC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(Oc2ccccc2)c1.CCC(=O)Cc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ncnc2c1ncn2-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
InChIInChI=1S/C26H25N5O4S.C24H24N8O4S.C24H30N4O5S.C24H24N4O5S.C23H26N4O5S.C22H26N4O5S.C19H20N6O4S/c1-26(2,16-35-21-9-5-7-19-15-36(33,34)30-24(27)23(19)21)29-25(32)18-10-12-28-22(14-18)31-13-11-17-6-3-4-8-20(17)31;1-14-20-22(28-12-27-14)32(13-29-20)18-9-15(7-8-26-18)23(33)30-24(2,3)11-36-17-6-4-5-16-10-37(34,35)31-21(25)19(16)17;2*1-24(2,15-32-19-10-6-7-17-14-34(30,31)28-22(25)21(17)19)27-23(29)16-11-12-26-20(13-16)33-18-8-4-3-5-9-18;1-23(2,13-32-19-5-3-4-16-12-33(30,31)27-21(24)20(16)19)26-22(29)15-8-9-25-17(10-15)11-18(28)14-6-7-14;1-4-17(27)11-16-10-14(8-9-24-16)21(28)25-22(2,3)13-31-18-7-5-6-15-12-32(29,30)26-20(23)19(15)18;1-19(2,23-18(26)12-6-7-25-15(8-12)21-11-22-25)10-29-14-5-3-4-13-9-30(27,28)24-17(20)16(13)14/h3-14H,15-16H2,1-2H3,(H2,27,30)(H,29,32);4-9,12-13H,10-11H2,1-3H3,(H2,25,31)(H,30,33);6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H2,25,28)(H,27,29);3-13H,14-15H2,1-2H3,(H2,25,28)(H,27,29);3-5,8-10,14H,6-7,11-13H2,1-2H3,(H2,24,27)(H,26,29);5-10H,4,11-13H2,1-3H3,(H2,23,26)(H,25,28);3-8,11H,9-10H2,1-2H3,(H2,20,24)(H,23,26)
InChIKeyGAWUTUCJJXGJKN-UHFFFAOYSA-N
MW3348.86 g/mol
LogP15.10
Rot. Bonds47

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 158200646) has the molecular formula C162H175N35O32S7 and a molecular weight of 3348.86 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID158200646
Molecular FormulaC162H175N35O32S7
Molecular Weight3348.86 g/mol
Exact Mass3346.12
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccn2ncnc2c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(CC(=O)C2CC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(OC2CCCCC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(Oc2ccccc2)c1.CCC(=O)Cc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ncnc2c1ncn2-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1
InChIInChI=1S/C26H25N5O4S.C24H24N8O4S.C24H30N4O5S.C24H24N4O5S.C23H26N4O5S.C22H26N4O5S.C19H20N6O4S/c1-26(2,16-35-21-9-5-7-19-15-36(33,34)30-24(27)23(19)21)29-25(32)18-10-12-28-22(14-18)31-13-11-17-6-3-4-8-20(17)31;1-14-20-22(28-12-27-14)32(13-29-20)18-9-15(7-8-26-18)23(33)30-24(2,3)11-36-17-6-4-5-16-10-37(34,35)31-21(25)19(16)17;2*1-24(2,15-32-19-10-6-7-17-14-34(30,31)28-22(25)21(17)19)27-23(29)16-11-12-26-20(13-16)33-18-8-4-3-5-9-18;1-23(2,13-32-19-5-3-4-16-12-33(30,31)27-21(24)20(16)19)26-22(29)15-8-9-25-17(10-15)11-18(28)14-6-7-14;1-4-17(27)11-16-10-14(8-9-24-16)21(28)25-22(2,3)13-31-18-7-5-6-15-12-32(29,30)26-20(23)19(15)18;1-19(2,23-18(26)12-6-7-25-15(8-12)21-11-22-25)10-29-14-5-3-4-13-9-30(27,28)24-17(20)16(13)14/h3-14H,15-16H2,1-2H3,(H2,27,30)(H,29,32);4-9,12-13H,10-11H2,1-3H3,(H2,25,31)(H,30,33);6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H2,25,28)(H,27,29);3-13H,14-15H2,1-2H3,(H2,25,28)(H,27,29);3-5,8-10,14H,6-7,11-13H2,1-2H3,(H2,24,27)(H,26,29);5-10H,4,11-13H2,1-3H3,(H2,23,26)(H,25,28);3-8,11H,9-10H2,1-2H3,(H2,20,24)(H,23,26)
InChIKeyGAWUTUCJJXGJKN-UHFFFAOYSA-N
XLogP15.10
TPSA984.61 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds47
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003348.86
LogP ≤ 515.10
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 158200646) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccn2ncnc2c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccc3ccccc32)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(CC(=O)C2CC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(OC2CCCCC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(Oc2ccccc2)c1.CCC(=O)Cc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ncnc2c1ncn2-c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is GAWUTUCJJXGJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S.C24H24N8O4S.C24H30N4O5S.C24H24N4O5S.C23H26N4O5S.C22H26N4O5S.C19H20N6O4S/c1-26(2,16-35-21-9-5-7-19-15-36(33,34)30-24(27)23(19)21)29-25(32)18-10-12-28-22(14-18)31-13-11-17-6-3-4-8-20(17)31;1-14-20-22(28-12-27-14)32(13-29-20)18-9-15(7-8-26-18)23(33)30-24(2,3)11-36-17-6-4-5-16-10-37(34,35)31-21(25)19(16)17;2*1-24(2,15-32-19-10-6-7-17-14-34(30,31)28-22(25)21(17)19)27-23(29)16-11-12-26-20(13-16)33-18-8-4-3-5-9-18;1-23(2,13-32-19-5-3-4-16-12-33(30,31)27-21(24)20(16)19)26-22(29)15-8-9-25-17(10-15)11-18(28)14-6-7-14;1-4-17(27)11-16-10-14(8-9-24-16)21(28)25-22(2,3)13-31-18-7-5-6-15-12-32(29,30)26-20(23)19(15)18;1-19(2,23-18(26)12-6-7-25-15(8-12)21-11-22-25)10-29-14-5-3-4-13-9-30(27,28)24-17(20)16(13)14/h3-14H,15-16H2,1-2H3,(H2,27,30)(H,29,32);4-9,12-13H,10-11H2,1-3H3,(H2,25,31)(H,30,33);6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H2,25,28)(H,27,29);3-13H,14-15H2,1-2H3,(H2,25,28)(H,27,29);3-5,8-10,14H,6-7,11-13H2,1-2H3,(H2,24,27)(H,26,29);5-10H,4,11-13H2,1-3H3,(H2,23,26)(H,25,28);3-8,11H,9-10H2,1-2H3,(H2,20,24)(H,23,26).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 3348.86 g/mol, XLogP of 15.10, 47 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-cyclohexyloxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(6-methylpurin-9-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-oxobutyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-phenoxypyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 158200646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).