2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C126H109N39O14 — CID 160971070

About 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 160971070) has the molecular formula C126H109N39O14 and a molecular weight of 2393.52 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
• PubChem CID: 160971070
• Molecular Formula: C126H109N39O14
• Molecular Weight: 2393.52 g/mol
• Exact Mass: 2391.90
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
• SMILES: COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.N#CCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(CCn1ccc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c(-c2ccccc2)n1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCn2c(cnc2-c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2cccnc2)cc1
• InChI: InChI=1S/C21H19N7O.C19H14N6O2.C18H16N6O.C18H16N4O3.C17H14N6O2.C17H17N5O2.C16H13N5O3/c29-20(25-21-24-18(26-27-21)17-8-4-5-10-22-17)15-9-11-28-16(12-15)13-23-19(28)14-6-2-1-3-7-14;26-18(23-19-22-17(24-25-19)16-5-1-2-11-21-16)13-6-8-14(9-7-13)27-15-4-3-10-20-12-15;25-16(9-12-24-11-8-13-5-1-2-7-15(13)24)20-18-21-17(22-23-18)14-6-3-4-10-19-14;23-16(11-12-6-7-14-15(10-12)25-9-8-24-14)19-18-20-17(21-22-18)13-4-2-1-3-5-13;18-9-8-12-4-6-13(7-5-12)25-11-15(24)20-17-21-16(22-23-17)14-3-1-2-10-19-14;1-24-13-8-5-12(6-9-13)7-10-15(23)19-17-20-16(21-22-17)14-4-2-3-11-18-14;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11/h1-8,10,13,15H,9,11-12H2,(H2,24,25,26,27,29);1-12H,(H2,22,23,24,25,26);1-8,10-11H,9,12H2,(H2,20,21,22,23,25);1-7,10H,8-9,11H2,(H2,19,20,21,22,23);1-7,10H,8,11H2,(H2,20,21,22,23,24);2-6,8-9,11H,7,10H2,1H3,(H2,19,20,21,22,23);1-7H,8-9H2,(H2,18,19,20,21,22)
• InChIKey: SYGJHGLVVCJOJX-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 696.07 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2393.52
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 160971070) is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.N#CCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(CCn1ccc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c(-c2ccccc2)n1.O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCn2c(cnc2-c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2cccnc2)cc1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?

The InChIKey is SYGJHGLVVCJOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O.C19H14N6O2.C18H16N6O.C18H16N4O3.C17H14N6O2.C17H17N5O2.C16H13N5O3/c29-20(25-21-24-18(26-27-21)17-8-4-5-10-22-17)15-9-11-28-16(12-15)13-23-19(28)14-6-2-1-3-7-14;26-18(23-19-22-17(24-25-19)16-5-1-2-11-21-16)13-6-8-14(9-7-13)27-15-4-3-10-20-12-15;25-16(9-12-24-11-8-13-5-1-2-7-15(13)24)20-18-21-17(22-23-18)14-6-3-4-10-19-14;23-16(11-12-6-7-14-15(10-12)25-9-8-24-14)19-18-20-17(21-22-18)13-4-2-1-3-5-13;18-9-8-12-4-6-13(7-5-12)25-11-15(24)20-17-21-16(22-23-17)14-3-1-2-10-19-14;1-24-13-8-5-12(6-9-13)7-10-15(23)19-17-20-16(21-22-17)14-4-2-3-11-18-14;22-14(8-10-4-5-12-13(7-10)24-9-23-12)18-16-19-15(20-21-16)11-3-1-2-6-17-11/h1-8,10,13,15H,9,11-12H2,(H2,24,25,26,27,29);1-12H,(H2,22,23,24,25,26);1-8,10-11H,9,12H2,(H2,20,21,22,23,25);1-7,10H,8-9,11H2,(H2,19,20,21,22,23);1-7,10H,8,11H2,(H2,20,21,22,23,24);2-6,8-9,11H,7,10H2,1H3,(H2,19,20,21,22,23);1-7H,8-9H2,(H2,18,19,20,21,22).

What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 2393.52 g/mol, XLogP of 17.69, 34 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 160971070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).