2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C87H78ClN29O10S2 — CID 157460151

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)S(=O)(=O)c1ccccc1.COc1cn(-c2ccccc2)nc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1cccc(OCC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CCN(C(=O)c2cccs2)CC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H19N5O2S.C18H15N7O2.C17H12ClN7O.C17H16N4O2.C16H16N6O3S/c25-18(23-16-12-21-17(22-16)14-4-1-2-8-20-14)13-6-9-24(10-7-13)19(26)15-5-3-11-27-15;1-27-14-11-25(12-7-3-2-4-8-12)24-15(14)17(26)21-18-20-16(22-23-18)13-9-5-6-10-19-13;18-11-4-3-5-12(10-11)25-9-7-14(24-25)16(26)21-17-20-15(22-23-17)13-6-1-2-8-19-13;1-12-5-4-6-14(9-12)23-11-13(22)10-16-19-17(21-20-16)15-7-2-3-8-18-15;1-22(26(24,25)12-7-3-2-4-8-12)11-14(23)18-16-19-15(20-21-16)13-9-5-6-10-17-13/h1-5,8,11-13H,6-7,9-10H2,(H,21,22)(H,23,25);2-11H,1H3,(H2,20,21,22,23,26);1-10H,(H2,20,21,22,23,26);2-9H,10-11H2,1H3,(H,19,20,21);2-10H,11H2,1H3,(H2,18,19,20,21,23)
InChIKeyBTVBGXCJPVLMIX-UHFFFAOYSA-N
MW1789.36 g/mol
LogP11.79
Rot. Bonds25

About 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 157460151) has the molecular formula C87H78ClN29O10S2 and a molecular weight of 1789.36 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID157460151
Molecular FormulaC87H78ClN29O10S2
Molecular Weight1789.36 g/mol
Exact Mass1787.56
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)S(=O)(=O)c1ccccc1.COc1cn(-c2ccccc2)nc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1cccc(OCC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CCN(C(=O)c2cccs2)CC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H19N5O2S.C18H15N7O2.C17H12ClN7O.C17H16N4O2.C16H16N6O3S/c25-18(23-16-12-21-17(22-16)14-4-1-2-8-20-14)13-6-9-24(10-7-13)19(26)15-5-3-11-27-15;1-27-14-11-25(12-7-3-2-4-8-12)24-15(14)17(26)21-18-20-16(22-23-18)13-9-5-6-10-19-13;18-11-4-3-5-12(10-11)25-9-7-14(24-25)16(26)21-17-20-15(22-23-17)13-6-1-2-8-19-13;1-12-5-4-6-14(9-12)23-11-13(22)10-16-19-17(21-20-16)15-7-2-3-8-18-15;1-22(26(24,25)12-7-3-2-4-8-12)11-14(23)18-16-19-15(20-21-16)13-9-5-6-10-17-13/h1-5,8,11-13H,6-7,9-10H2,(H,21,22)(H,23,25);2-11H,1H3,(H2,20,21,22,23,26);1-10H,(H2,20,21,22,23,26);2-9H,10-11H2,1H3,(H,19,20,21);2-10H,11H2,1H3,(H2,18,19,20,21,23)
InChIKeyBTVBGXCJPVLMIX-UHFFFAOYSA-N
XLogP11.79
TPSA504.67 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001789.36
LogP ≤ 511.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(3-methoxyphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyrazole-3-carboxamide;2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide;2-(2-phenoxyethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethanone;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanone
CID 160221034
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyrazole-3-carboxamide;2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide;2-(2-phenoxyethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethanone;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanone
CID 160373295
2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyrazole-3-carboxamide;N-methyl-N-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]benzenesulfonamide;2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-(2-phenoxyethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethanone;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanone
CID 161143158
2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyrazole-3-carboxamide;2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;6-oxo-1-(2-phenoxyethyl)-N-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide;2-(2-phenoxyethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethanone;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanone
CID 162005507
2-[(4-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyrazole-3-carboxamide;2-(3-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide;2-(2-phenoxyethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethanone;2-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanone
CID 162212002
2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-cyclopentyl-N-[2-oxo-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propyl]acetamide;2-(3-fluorophenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-[methyl(methylsulfonyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;molecular hydrogen;3-[2-oxo-2-(oxolan-2-yl)ethyl]-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;3-[(2-phenylacetyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 159853800
2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 160920661
N-(3-chlorophenyl)-3-(2-formylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-(5-chloropyrazin-2-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(6-chloropyrimidin-4-yl)oxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;2-(3-methylsulfonylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 160981168
N-[4-[4-[2-chloro-5-[(dimethylamino)methyl]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-pyrazol-1-ylpropan-2-one;N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 161292793
2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 162150509

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 157460151) is 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)S(=O)(=O)c1ccccc1.COc1cn(-c2ccccc2)nc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1cccc(OCC(=O)Cc2nc(-c3ccccn3)n[nH]2)c1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CCN(C(=O)c2cccs2)CC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is BTVBGXCJPVLMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S.C18H15N7O2.C17H12ClN7O.C17H16N4O2.C16H16N6O3S/c25-18(23-16-12-21-17(22-16)14-4-1-2-8-20-14)13-6-9-24(10-7-13)19(26)15-5-3-11-27-15;1-27-14-11-25(12-7-3-2-4-8-12)24-15(14)17(26)21-18-20-16(22-23-18)13-9-5-6-10-19-13;18-11-4-3-5-12(10-11)25-9-7-14(24-25)16(26)21-17-20-15(22-23-17)13-6-1-2-8-19-13;1-12-5-4-6-14(9-12)23-11-13(22)10-16-19-17(21-20-16)15-7-2-3-8-18-15;1-22(26(24,25)12-7-3-2-4-8-12)11-14(23)18-16-19-15(20-21-16)13-9-5-6-10-17-13/h1-5,8,11-13H,6-7,9-10H2,(H,21,22)(H,23,25);2-11H,1H3,(H2,20,21,22,23,26);1-10H,(H2,20,21,22,23,26);2-9H,10-11H2,1H3,(H,19,20,21);2-10H,11H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 1789.36 g/mol, XLogP of 11.79, 25 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;4-methoxy-1-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;1-(3-methylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 157460151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).