N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C27H32N4O — CID 110231102

About N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231102) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231102
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccnc2)C1
• InChI: InChI=1S/C27H32N4O/c1-21(2)16-30-26(32)27(11-14-31(20-27)19-22-7-5-12-28-17-22)15-23-8-3-4-10-25(23)24-9-6-13-29-18-24/h3-10,12-13,17-18,21H,11,14-16,19-20H2,1-2H3,(H,30,32)
• InChIKey: SRYJXBZCLKBVJP-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231102) is N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccnc2)C1.

What is the InChIKey of N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is SRYJXBZCLKBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-21(2)16-30-26(32)27(11-14-31(20-27)19-22-7-5-12-28-17-22)15-23-8-3-4-10-25(23)24-9-6-13-29-18-24/h3-10,12-13,17-18,21H,11,14-16,19-20H2,1-2H3,(H,30,32).

What are the key properties of N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?

N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-1-(pyridin-3-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).