N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C118H133N25O20 — CID 157346421

About N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 157346421) has the molecular formula C118H133N25O20 and a molecular weight of 2221.52 g/mol. Its IUPAC name is N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 157346421
• Molecular Formula: C118H133N25O20
• Molecular Weight: 2221.52 g/mol
• Exact Mass: 2220.02
• IUPAC Name: N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
• SMILES: Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cncn4)cn3)CC2)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cncn4)nc3)CC2)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cncn4)nn3)CC2)ccc2c1COC2=O.Cc1ccc(C(=O)NC2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)nc1.Cc1cnc(C(=O)NC2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)cc1C
• InChI: InChI=1S/2C24H26N6O4.C24H29N3O4.C23H25N7O4.C23H27N3O4/c1-15-18(3-4-19-20(15)12-34-24(19)33)22(31)11-29-8-6-16(7-9-29)28-23(32)21-5-2-17(10-26-21)30-14-25-13-27-30;1-15-18(3-4-19-20(15)12-34-24(19)33)21(31)11-29-8-6-17(7-9-29)28-23(32)16-2-5-22(26-10-16)30-14-25-13-27-30;1-14-10-21(25-11-15(14)2)23(29)26-17-6-8-27(9-7-17)12-22(28)18-4-5-19-20(16(18)3)13-31-24(19)30;1-14-16(2-3-17-18(14)11-34-23(17)33)20(31)10-29-8-6-15(7-9-29)26-22(32)19-4-5-21(28-27-19)30-13-24-12-25-30;1-14-3-6-20(24-11-14)22(28)25-16-7-9-26(10-8-16)12-21(27)17-4-5-18-19(15(17)2)13-30-23(18)29/h2-5,10,13-14,16,22,31H,6-9,11-12H2,1H3,(H,28,32);2-5,10,13-14,17,21,31H,6-9,11-12H2,1H3,(H,28,32);4-5,10-11,17,22,28H,6-9,12-13H2,1-3H3,(H,26,29);2-5,12-13,15,20,31H,6-11H2,1H3,(H,26,32);3-6,11,16,21,27H,7-10,12-13H2,1-2H3,(H,25,28)/t22-;21-;22-;20-;21-/m00000/s1
• InChIKey: BHAHWGBOIKRRPO-MQTBSBOGSA-N
• XLogP: 9.00
• TPSA: 563.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.52
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 157346421) is N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cncn4)cn3)CC2)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cncn4)nc3)CC2)ccc2c1COC2=O.Cc1c([C@@H](O)CN2CCC(NC(=O)c3ccc(-n4cncn4)nn3)CC2)ccc2c1COC2=O.Cc1ccc(C(=O)NC2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)nc1.Cc1cnc(C(=O)NC2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)cc1C.

What is the InChIKey of N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

The InChIKey is BHAHWGBOIKRRPO-MQTBSBOGSA-N. The full InChI is InChI=1S/2C24H26N6O4.C24H29N3O4.C23H25N7O4.C23H27N3O4/c1-15-18(3-4-19-20(15)12-34-24(19)33)22(31)11-29-8-6-16(7-9-29)28-23(32)21-5-2-17(10-26-21)30-14-25-13-27-30;1-15-18(3-4-19-20(15)12-34-24(19)33)21(31)11-29-8-6-17(7-9-29)28-23(32)16-2-5-22(26-10-16)30-14-25-13-27-30;1-14-10-21(25-11-15(14)2)23(29)26-17-6-8-27(9-7-17)12-22(28)18-4-5-19-20(16(18)3)13-31-24(19)30;1-14-16(2-3-17-18(14)11-34-23(17)33)20(31)10-29-8-6-15(7-9-29)26-22(32)19-4-5-21(28-27-19)30-13-24-12-25-30;1-14-3-6-20(24-11-14)22(28)25-16-7-9-26(10-8-16)12-21(27)17-4-5-18-19(15(17)2)13-30-23(18)29/h2-5,10,13-14,16,22,31H,6-9,11-12H2,1H3,(H,28,32);2-5,10,13-14,17,21,31H,6-9,11-12H2,1H3,(H,28,32);4-5,10-11,17,22,28H,6-9,12-13H2,1-3H3,(H,26,29);2-5,12-13,15,20,31H,6-11H2,1H3,(H,26,32);3-6,11,16,21,27H,7-10,12-13H2,1-2H3,(H,25,28)/t22-;21-;22-;20-;21-/m00000/s1.

What are the key properties of N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?

N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 2221.52 g/mol, XLogP of 9.00, 28 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-4,5-dimethylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-methylpyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(1,2,4-triazol-1-yl)pyridine-2-carboxamide;N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 157346421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).