2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide

C138H122N44O13S — CID 161391103

About 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 161391103) has the molecular formula C138H122N44O13S and a molecular weight of 2636.86 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 161391103
• Molecular Formula: C138H122N44O13S
• Molecular Weight: 2636.86 g/mol
• Exact Mass: 2635.00
• IUPAC Name: 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide
• SMILES: CC(Oc1ccc(C#N)cc1)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)s1.Cc1cccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.N#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(COc1ccc2c(c1)CCC2)CC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(c2cnccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(NC(=O)c2ccccn2)cc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1
• InChI: InChI=1S/C20H15N7O2.C20H19N3O2.C19H16N4O2.C18H17N5O2.C17H18N8O.C16H12N6O2.C14H12N6O.C14H13N5OS/c28-18(25-20-24-17(26-27-20)15-5-1-3-11-21-15)13-7-9-14(10-8-13)23-19(29)16-6-2-4-12-22-16;24-17(13-25-18-8-7-14-4-3-5-15(14)10-18)11-16-12-20(23-22-16)19-6-1-2-9-21-19;1-13(25-16-7-5-14(12-20)6-8-16)19(24)11-15-10-18(23-22-15)17-4-2-3-9-21-17;24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15;26-16(12-4-3-9-25(11-12)14-10-18-7-8-20-14)22-17-21-15(23-24-17)13-5-1-2-6-19-13;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13;1-9-5-4-7-11(16-9)13(21)18-14-17-12(19-20-14)10-6-2-3-8-15-10;1-9-5-6-10(21-9)8-12(20)16-14-17-13(18-19-14)11-4-2-3-7-15-11/h1-12H,(H,23,29)(H2,24,25,26,27,28);1-2,6-10H,3-5,11-13H2;2-9,13H,10-11H2,1H3;1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24);1-2,5-8,10,12H,3-4,9,11H2,(H2,21,22,23,24,26);1-8H,10H2,(H2,19,20,21,22,23);2-8H,1H3,(H2,17,18,19,20,21);2-7H,8H2,1H3,(H2,16,17,18,19,20)
• InChIKey: VSZNZPCKEHPWHU-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 779.12 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.86
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide (CID 161391103) is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide is CC(Oc1ccc(C#N)cc1)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)s1.Cc1cccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)n1.N#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(COc1ccc2c(c1)CCC2)CC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(c2cnccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(NC(=O)c2ccccn2)cc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1.

What is the InChIKey of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide?

The InChIKey is VSZNZPCKEHPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2.C20H19N3O2.C19H16N4O2.C18H17N5O2.C17H18N8O.C16H12N6O2.C14H12N6O.C14H13N5OS/c28-18(25-20-24-17(26-27-20)15-5-1-3-11-21-15)13-7-9-14(10-8-13)23-19(29)16-6-2-4-12-22-16;24-17(13-25-18-8-7-14-4-3-5-15(14)10-18)11-16-12-20(23-22-16)19-6-1-2-9-21-19;1-13(25-16-7-5-14(12-20)6-8-16)19(24)11-15-10-18(23-22-15)17-4-2-3-9-21-17;24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15;26-16(12-4-3-9-25(11-12)14-10-18-7-8-20-14)22-17-21-15(23-24-17)13-5-1-2-6-19-13;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13;1-9-5-4-7-11(16-9)13(21)18-14-17-12(19-20-14)10-6-2-3-8-15-10;1-9-5-6-10(21-9)8-12(20)16-14-17-13(18-19-14)11-4-2-3-7-15-11/h1-12H,(H,23,29)(H2,24,25,26,27,28);1-2,6-10H,3-5,11-13H2;2-9,13H,10-11H2,1H3;1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24);1-2,5-8,10,12H,3-4,9,11H2,(H2,21,22,23,24,26);1-8H,10H2,(H2,19,20,21,22,23);2-8H,1H3,(H2,17,18,19,20,21);2-7H,8H2,1H3,(H2,16,17,18,19,20).

What are the key properties of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide?

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 2636.86 g/mol, XLogP of 19.27, 39 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;1-(2,3-dihydro-1H-inden-5-yloxy)-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propan-2-one;6-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2-(5-methylthiophen-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide;N-[4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 161391103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).