5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

C25H26ClN3O2 — CID 24797445

About 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 24797445) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
• PubChem CID: 24797445
• Molecular Formula: C25H26ClN3O2
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.17
• IUPAC Name: 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
• SMILES: C[C@](O)(CNC(=O)c1cnc(CCc2cccnc2)c(-c2ccc(Cl)cc2)c1)C1CC1
• InChI: InChI=1S/C25H26ClN3O2/c1-25(31,20-7-8-20)16-29-24(30)19-13-22(18-5-9-21(26)10-6-18)23(28-15-19)11-4-17-3-2-12-27-14-17/h2-3,5-6,9-10,12-15,20,31H,4,7-8,11,16H2,1H3,(H,29,30)/t25-/m0/s1
• InChIKey: ZKIDOGHKWFLCIF-VWLOTQADSA-N
• XLogP: 4.47
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (CID 24797445) is 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is C[C@](O)(CNC(=O)c1cnc(CCc2cccnc2)c(-c2ccc(Cl)cc2)c1)C1CC1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

The InChIKey is ZKIDOGHKWFLCIF-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-25(31,20-7-8-20)16-29-24(30)19-13-22(18-5-9-21(26)10-6-18)23(28-15-19)11-4-17-3-2-12-27-14-17/h2-3,5-6,9-10,12-15,20,31H,4,7-8,11,16H2,1H3,(H,29,30)/t25-/m0/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?

5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24797445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).