2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C142H124FN43O14 — CID 159255100

About 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 159255100) has the molecular formula C142H124FN43O14 and a molecular weight of 2675.84 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 159255100
• Molecular Formula: C142H124FN43O14
• Molecular Weight: 2675.84 g/mol
• Exact Mass: 2674.03
• IUPAC Name: 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CC(C(=O)Nc1n[nH]c(-c2ccccn2)n1)n1cnc2ccccc21.CC(Oc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1F.COc1ccc2c(ccn2CC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1
• InChI: InChI=1S/C21H18N6O2.C19H16N4O2.C18H16N6O2.C17H16FN5O2.C17H15N7O.C17H14N6O2.C17H14N4O2.C16H15N5O/c1-14(15-7-3-2-4-8-15)29-18-11-10-16(13-23-18)20(28)25-21-24-19(26-27-21)17-9-5-6-12-22-17;1-13(25-19-8-3-2-6-14(19)12-20)18(24)11-15-10-17(23-22-15)16-7-4-5-9-21-16;1-26-13-5-6-15-12(10-13)7-9-24(15)11-16(25)20-18-21-17(22-23-18)14-4-2-3-8-19-14;1-25-14-7-5-11(10-12(14)18)6-8-15(24)20-17-21-16(22-23-17)13-4-2-3-9-19-13;1-11(24-10-19-12-6-2-3-8-14(12)24)16(25)21-17-20-15(22-23-17)13-7-4-5-9-18-13;1-11(25-13-6-4-5-12(9-13)10-18)16(24)21-17-20-15(22-23-17)14-7-2-3-8-19-14;22-17(15-9-11-5-1-2-7-14(11)23-15)19-16-10-13(20-21-16)12-6-3-4-8-18-12;1-11-5-7-12(8-6-11)10-14(22)18-16-19-15(20-21-16)13-4-2-3-9-17-13/h2-14H,1H3,(H2,24,25,26,27,28);2-9,13H,10-11H2,1H3;2-10H,11H2,1H3,(H2,20,21,22,23,25);2-5,7,9-10H,6,8H2,1H3,(H2,20,21,22,23,24);2-11H,1H3,(H2,20,21,22,23,25);2-9,11H,1H3,(H2,20,21,22,23,24);1-8,15H,9-10H2,(H,19,21,22);2-9H,10H2,1H3,(H2,18,19,20,21,22)
• InChIKey: KVUHXHXTTSLKLH-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 761.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2675.84
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 159255100) is 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C(=O)Nc1n[nH]c(-c2ccccn2)n1)n1cnc2ccccc21.CC(Oc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1F.COc1ccc2c(ccn2CC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1.

What is the InChIKey of 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is KVUHXHXTTSLKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2.C19H16N4O2.C18H16N6O2.C17H16FN5O2.C17H15N7O.C17H14N6O2.C17H14N4O2.C16H15N5O/c1-14(15-7-3-2-4-8-15)29-18-11-10-16(13-23-18)20(28)25-21-24-19(26-27-21)17-9-5-6-12-22-17;1-13(25-19-8-3-2-6-14(19)12-20)18(24)11-15-10-17(23-22-15)16-7-4-5-9-21-16;1-26-13-5-6-15-12(10-13)7-9-24(15)11-16(25)20-18-21-17(22-23-18)14-4-2-3-8-19-14;1-25-14-7-5-11(10-12(14)18)6-8-15(24)20-17-21-16(22-23-17)13-4-2-3-9-19-13;1-11(24-10-19-12-6-2-3-8-14(12)24)16(25)21-17-20-15(22-23-17)13-7-4-5-9-18-13;1-11(25-13-6-4-5-12(9-13)10-18)16(24)21-17-20-15(22-23-17)14-7-2-3-8-19-14;22-17(15-9-11-5-1-2-7-14(11)23-15)19-16-10-13(20-21-16)12-6-3-4-8-18-12;1-11-5-7-12(8-6-11)10-14(22)18-16-19-15(20-21-16)13-4-2-3-9-17-13/h2-14H,1H3,(H2,24,25,26,27,28);2-9,13H,10-11H2,1H3;2-10H,11H2,1H3,(H2,20,21,22,23,25);2-5,7,9-10H,6,8H2,1H3,(H2,20,21,22,23,24);2-11H,1H3,(H2,20,21,22,23,25);2-9,11H,1H3,(H2,20,21,22,23,24);1-8,15H,9-10H2,(H,19,21,22);2-9H,10H2,1H3,(H2,18,19,20,21,22).

What are the key properties of 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 2675.84 g/mol, XLogP of 20.26, 38 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 159255100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).