5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide

C25H31ClN2O3 — CID 67504838

About 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide (PubChem CID 67504838) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide
• PubChem CID: 67504838
• Molecular Formula: C25H31ClN2O3
• Molecular Weight: 442.99 g/mol
• Exact Mass: 442.20
• IUPAC Name: 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide
• SMILES: O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCC2(O)CCCC2)c(-c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C25H31ClN2O3/c26-19-9-7-17(8-10-19)20-15-18(24(30)28-22-5-1-2-6-23(22)29)16-27-21(20)11-14-25(31)12-3-4-13-25/h7-10,15-16,22-23,29,31H,1-6,11-14H2,(H,28,30)/t22-,23-/m1/s1
• InChIKey: KTMNHCOEQRZFLP-DHIUTWEWSA-N
• XLogP: 4.67
• TPSA: 82.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.99
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide (CID 67504838) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(CCC2(O)CCCC2)c(-c2ccc(Cl)cc2)c1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide?

The InChIKey is KTMNHCOEQRZFLP-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H31ClN2O3/c26-19-9-7-17(8-10-19)20-15-18(24(30)28-22-5-1-2-6-23(22)29)16-27-21(20)11-14-25(31)12-3-4-13-25/h7-10,15-16,22-23,29,31H,1-6,11-14H2,(H,28,30)/t22-,23-/m1/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide?

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 67504838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).