2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C140H132N44O18S4 — CID 167534781

IUPAC2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1ccccc1.COc1ccccc1-c1cc(C(=O)NC2=NN=C(c3ccccn3)C2)no1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.NC(=O)c1ccc(OCC(=O)CC2=NN=C(c3ccccn3)C2)cc1.O=C(CCC1=Nc2ccccc2C1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H15N5O3.C19H17N5O.C18H18N6O2S.C18H16N4O3.C17H16N6O3S.C17H18N6O.C16H17N7O2S.C16H15N5O3S/c1-26-16-8-3-2-6-12(16)17-10-15(24-27-17)19(25)21-18-11-14(22-23-18)13-7-4-5-9-20-13;25-19(9-8-14-11-13-5-1-2-6-15(13)21-14)22-18-12-17(23-24-18)16-7-3-4-10-20-16;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;19-18(24)12-4-6-15(7-5-12)25-11-14(23)9-13-10-17(22-21-13)16-3-1-2-8-20-16;24-16(20-17-19-15(21-22-17)14-7-1-2-8-18-14)12-5-3-6-13(11-12)23-9-4-10-27(23,25)26;1-23(11-13-7-3-2-4-8-13)12-15(24)19-17-20-16(21-22-17)14-9-5-6-10-18-14;1-9(2)14(25)21-16-18-10(8-26-16)7-12(24)19-15-20-13(22-23-15)11-5-3-4-6-17-11;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12/h2-10H,11H2,1H3,(H,21,23,25);1-7,10H,8-9,11-12H2,(H,22,24,25);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-8H,9-11H2,(H2,19,24);1-3,5-8,11H,4,9-10H2,(H2,19,20,21,22,24);2-10H,11-12H2,1H3,(H2,19,20,21,22,24);3-6,8-9H,7H2,1-2H3,(H,18,21,25)(H2,19,20,22,23,24);3-9H,1-2H3,(H2,18,19,20,21,22)
InChIKeyAKSKXXBWOMJXEB-UHFFFAOYSA-N
MW2847.15 g/mol
LogP17.21
Rot. Bonds39

About 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 167534781) has the molecular formula C140H132N44O18S4 and a molecular weight of 2847.15 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID167534781
Molecular FormulaC140H132N44O18S4
Molecular Weight2847.15 g/mol
Exact Mass2844.96
IUPAC Name2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1ccccc1.COc1ccccc1-c1cc(C(=O)NC2=NN=C(c3ccccn3)C2)no1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.NC(=O)c1ccc(OCC(=O)CC2=NN=C(c3ccccn3)C2)cc1.O=C(CCC1=Nc2ccccc2C1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H15N5O3.C19H17N5O.C18H18N6O2S.C18H16N4O3.C17H16N6O3S.C17H18N6O.C16H17N7O2S.C16H15N5O3S/c1-26-16-8-3-2-6-12(16)17-10-15(24-27-17)19(25)21-18-11-14(22-23-18)13-7-4-5-9-20-13;25-19(9-8-14-11-13-5-1-2-6-15(13)21-14)22-18-12-17(23-24-18)16-7-3-4-10-20-16;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;19-18(24)12-4-6-15(7-5-12)25-11-14(23)9-13-10-17(22-21-13)16-3-1-2-8-20-16;24-16(20-17-19-15(21-22-17)14-7-1-2-8-18-14)12-5-3-6-13(11-12)23-9-4-10-27(23,25)26;1-23(11-13-7-3-2-4-8-13)12-15(24)19-17-20-16(21-22-17)14-9-5-6-10-18-14;1-9(2)14(25)21-16-18-10(8-26-16)7-12(24)19-15-20-13(22-23-15)11-5-3-4-6-17-11;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12/h2-10H,11H2,1H3,(H,21,23,25);1-7,10H,8-9,11-12H2,(H,22,24,25);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-8H,9-11H2,(H2,19,24);1-3,5-8,11H,4,9-10H2,(H2,19,20,21,22,24);2-10H,11-12H2,1H3,(H2,19,20,21,22,24);3-6,8-9H,7H2,1-2H3,(H,18,21,25)(H2,19,20,22,23,24);3-9H,1-2H3,(H2,18,19,20,21,22)
InChIKeyAKSKXXBWOMJXEB-UHFFFAOYSA-N
XLogP17.21
TPSA842.90 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds39
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.15
LogP ≤ 517.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Analyze 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

2-tert-butyl-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,3-thiazole-4-carboxamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)benzamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)-1,2-oxazole-3-carboxamide;2-methyl-N-[4-[2-oxo-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazol-2-yl]propanamide;molecular hydrogen;4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide;5-phenyl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 158318772
2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxothiolan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide
CID 158357757
2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide
CID 159609362
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;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 159830467
2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 160048754
2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 160232682
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzonitrile;6-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-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)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-thiophen-2-ylacetamide
CID 161740781
2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-[2-(2-methoxyphenyl)cyclopropyl]-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide
CID 162036691

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 167534781) is 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)C(=O)Nc1nc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CN(CC(=O)Nc1n[nH]c(-c2ccccn2)n1)Cc1ccccc1.COc1ccccc1-c1cc(C(=O)NC2=NN=C(c3ccccn3)C2)no1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.NC(=O)c1ccc(OCC(=O)CC2=NN=C(c3ccccn3)C2)cc1.O=C(CCC1=Nc2ccccc2C1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is AKSKXXBWOMJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3.C19H17N5O.C18H18N6O2S.C18H16N4O3.C17H16N6O3S.C17H18N6O.C16H17N7O2S.C16H15N5O3S/c1-26-16-8-3-2-6-12(16)17-10-15(24-27-17)19(25)21-18-11-14(22-23-18)13-7-4-5-9-20-13;25-19(9-8-14-11-13-5-1-2-6-15(13)21-14)22-18-12-17(23-24-18)16-7-3-4-10-20-16;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;19-18(24)12-4-6-15(7-5-12)25-11-14(23)9-13-10-17(22-21-13)16-3-1-2-8-20-16;24-16(20-17-19-15(21-22-17)14-7-1-2-8-18-14)12-5-3-6-13(11-12)23-9-4-10-27(23,25)26;1-23(11-13-7-3-2-4-8-13)12-15(24)19-17-20-16(21-22-17)14-9-5-6-10-18-14;1-9(2)14(25)21-16-18-10(8-26-16)7-12(24)19-15-20-13(22-23-15)11-5-3-4-6-17-11;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12/h2-10H,11H2,1H3,(H,21,23,25);1-7,10H,8-9,11-12H2,(H,22,24,25);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-8H,9-11H2,(H2,19,24);1-3,5-8,11H,4,9-10H2,(H2,19,20,21,22,24);2-10H,11-12H2,1H3,(H2,19,20,21,22,24);3-6,8-9H,7H2,1-2H3,(H,18,21,25)(H2,19,20,22,23,24);3-9H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 2847.15 g/mol, XLogP of 17.21, 39 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-(3H-indol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;5-(2-methoxyphenyl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,2-oxazole-3-carboxamide;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;4-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propoxy]benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 167534781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).