2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C88H76N24O9 — CID 158573145

About 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 158573145) has the molecular formula C88H76N24O9 and a molecular weight of 1613.73 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 158573145
• Molecular Formula: C88H76N24O9
• Molecular Weight: 1613.73 g/mol
• Exact Mass: 1612.62
• IUPAC Name: 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc2c(ccn2CC(=O)Nc2cnc(-c3ccccn3)[nH]2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1
• InChI: InChI=1S/C19H17N5O2.C19H16N4O2.C17H14N6O2.C17H14N4O2.C16H15N5O/c1-26-14-5-6-16-13(10-14)7-9-24(16)12-18(25)22-17-11-21-19(23-17)15-4-2-3-8-20-15;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;1-11(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/h2-11H,12H2,1H3,(H,21,23)(H,22,25);2-9,13H,10-11H2,1H3;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: HSIFNTDDYPKGDL-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 448.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1613.73
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 158573145) is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc2c(ccn2CC(=O)Nc2cnc(-c3ccccn3)[nH]2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1.

What is the InChIKey of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is HSIFNTDDYPKGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2.C19H16N4O2.C17H14N6O2.C17H14N4O2.C16H15N5O/c1-26-14-5-6-16-13(10-14)7-9-24(16)12-18(25)22-17-11-21-19(23-17)15-4-2-3-8-20-15;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;1-11(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/h2-11H,12H2,1H3,(H,21,23)(H,22,25);2-9,13H,10-11H2,1H3;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-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 1613.73 g/mol, XLogP of 12.21, 22 rotatable bonds, 7 hydrogen bond donors, and 26 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)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-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;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 158573145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).