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-pyridin-2-yl-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

C109H95N35O11 — CID 160994910

About 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-pyridin-2-yl-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-[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-pyridin-2-yl-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 160994910) has the molecular formula C109H95N35O11 and a molecular weight of 2071.19 g/mol. Its IUPAC name is 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-pyridin-2-yl-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-[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-pyridin-2-yl-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: 160994910
• Molecular Formula: C109H95N35O11
• Molecular Weight: 2071.19 g/mol
• Exact Mass: 2069.80
• IUPAC Name: 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-pyridin-2-yl-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(-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.C17H14N6O2.C17H15N5O3.C17H17N5O2/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;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;23-15(10-11-4-5-13-14(9-11)25-8-7-24-13)19-17-20-16(21-22-17)12-3-1-2-6-18-12;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/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,8,11H2,(H2,20,21,22,23,24);1-6,9H,7-8,10H2,(H2,19,20,21,22,23);2-6,8-9,11H,7,10H2,1H3,(H2,19,20,21,22,23)
• InChIKey: TVCOXSRQFKWLQP-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 606.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2071.19
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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-pyridin-2-yl-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-[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-pyridin-2-yl-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 160994910) is 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-pyridin-2-yl-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-[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-pyridin-2-yl-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-[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-pyridin-2-yl-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(-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-[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-pyridin-2-yl-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 TVCOXSRQFKWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O.C19H14N6O2.C18H16N6O.C17H14N6O2.C17H15N5O3.C17H17N5O2/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;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;23-15(10-11-4-5-13-14(9-11)25-8-7-24-13)19-17-20-16(21-22-17)12-3-1-2-6-18-12;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/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,8,11H2,(H2,20,21,22,23,24);1-6,9H,7-8,10H2,(H2,19,20,21,22,23);2-6,8-9,11H,7,10H2,1H3,(H2,19,20,21,22,23).

What are the key properties of 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-pyridin-2-yl-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-[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-pyridin-2-yl-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 2071.19 g/mol, XLogP of 15.30, 30 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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-pyridin-2-yl-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 160994910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).