5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C91H79ClN28O9 — CID 159797924

About 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 159797924) has the molecular formula C91H79ClN28O9 and a molecular weight of 1744.27 g/mol. Its IUPAC name is 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 159797924
• Molecular Formula: C91H79ClN28O9
• Molecular Weight: 1744.27 g/mol
• Exact Mass: 1742.63
• IUPAC Name: 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: CC(Oc1ccc(C(=O)Nc2cnc(-c3ccccn3)[nH]2)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CC(Oc1ccccc1C#N)C(=O)Cc1nc(-c2ccccn2)n[nH]1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1Cc2ccccc2O1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1nc(N2CCCCC2)ncc1Cl
• InChI: InChI=1S/C22H19N5O2.2C18H15N5O2.C17H17ClN8O.C16H13N5O2/c1-15(16-7-3-2-4-8-16)29-20-11-10-17(13-24-20)22(28)27-19-14-25-21(26-19)18-9-5-6-12-23-18;1-12(25-14-6-4-5-13(9-14)11-19)16(24)10-17-21-18(23-22-17)15-7-2-3-8-20-15;1-12(25-16-8-3-2-6-13(16)11-19)15(24)10-17-21-18(23-22-17)14-7-4-5-9-20-14;18-11-10-20-17(26-8-4-1-5-9-26)21-13(11)15(27)23-16-22-14(24-25-16)12-6-2-3-7-19-12;22-15(13-9-10-5-1-2-7-12(10)23-13)19-16-18-14(20-21-16)11-6-3-4-8-17-11/h2-15H,1H3,(H,25,26)(H,27,28);2*2-9,12H,10H2,1H3,(H,21,22,23);2-3,6-7,10H,1,4-5,8-9H2,(H2,22,23,24,25,27);1-8,13H,9H2,(H2,18,19,20,21,22)
• InChIKey: NJKHNZPLODJYHH-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 507.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1744.27
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 159797924) is 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(Oc1ccc(C(=O)Nc2cnc(-c3ccccn3)[nH]2)cn1)c1ccccc1.CC(Oc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CC(Oc1ccccc1C#N)C(=O)Cc1nc(-c2ccccn2)n[nH]1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1Cc2ccccc2O1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1nc(N2CCCCC2)ncc1Cl.

What is the InChIKey of 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is NJKHNZPLODJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2.2C18H15N5O2.C17H17ClN8O.C16H13N5O2/c1-15(16-7-3-2-4-8-16)29-20-11-10-17(13-24-20)22(28)27-19-14-25-21(26-19)18-9-5-6-12-23-18;1-12(25-14-6-4-5-13(9-14)11-19)16(24)10-17-21-18(23-22-17)15-7-2-3-8-20-15;1-12(25-16-8-3-2-6-13(16)11-19)15(24)10-17-21-18(23-22-17)14-7-4-5-9-20-14;18-11-10-20-17(26-8-4-1-5-9-26)21-13(11)15(27)23-16-22-14(24-25-16)12-6-2-3-7-19-12;22-15(13-9-10-5-1-2-7-12(10)23-13)19-16-18-14(20-21-16)11-6-3-4-8-17-11/h2-15H,1H3,(H,25,26)(H,27,28);2*2-9,12H,10H2,1H3,(H,21,22,23);2-3,6-7,10H,1,4-5,8-9H2,(H2,22,23,24,25,27);1-8,13H,9H2,(H2,18,19,20,21,22).

What are the key properties of 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 1744.27 g/mol, XLogP of 13.26, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 159797924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).