1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C27H35N3O2 — CID 110231368

About 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231368) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231368
• Molecular Formula: C27H35N3O2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.27
• IUPAC Name: 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCCCC2)C1
• InChI: InChI=1S/C27H35N3O2/c1-20(2)29-26(32)27(14-16-30(19-27)25(31)23-7-4-3-5-8-23)17-21-10-12-22(13-11-21)24-9-6-15-28-18-24/h6,9-13,15,18,20,23H,3-5,7-8,14,16-17,19H2,1-2H3,(H,29,32)
• InChIKey: OGLIFHYUJYRRNJ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231368) is 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCCCC2)C1.

What is the InChIKey of 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is OGLIFHYUJYRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-20(2)29-26(32)27(14-16-30(19-27)25(31)23-7-4-3-5-8-23)17-21-10-12-22(13-11-21)24-9-6-15-28-18-24/h6,9-13,15,18,20,23H,3-5,7-8,14,16-17,19H2,1-2H3,(H,29,32).

What are the key properties of 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).