1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C27H32N4O — CID 110231421

About 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231421) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231421
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: Cc1cccc(CN2CCC(Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1
• InChI: InChI=1S/C27H32N4O/c1-20(2)29-26(32)27(13-16-31(19-27)18-25-6-4-5-21(3)30-25)17-22-7-9-23(10-8-22)24-11-14-28-15-12-24/h4-12,14-15,20H,13,16-19H2,1-3H3,(H,29,32)
• InChIKey: MSIGIGUTPKOZCE-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231421) is 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is Cc1cccc(CN2CCC(Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1.

What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is MSIGIGUTPKOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-20(2)29-26(32)27(13-16-31(19-27)18-25-6-4-5-21(3)30-25)17-22-7-9-23(10-8-22)24-11-14-28-15-12-24/h4-12,14-15,20H,13,16-19H2,1-3H3,(H,29,32).

What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).