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

C28H34N4O — CID 110231199

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

N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231199) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231199
• Molecular Formula: C28H34N4O
• Molecular Weight: 442.61 g/mol
• Exact Mass: 442.27
• IUPAC Name: N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: Cc1cccc(CN2CCC(Cc3ccccc3-c3ccncc3)(C(=O)NCC(C)C)C2)n1
• InChI: InChI=1S/C28H34N4O/c1-21(2)18-30-27(33)28(13-16-32(20-28)19-25-9-6-7-22(3)31-25)17-24-8-4-5-10-26(24)23-11-14-29-15-12-23/h4-12,14-15,21H,13,16-20H2,1-3H3,(H,30,33)
• InChIKey: MERHISGXZXIWLW-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.61
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231199) is N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is Cc1cccc(CN2CCC(Cc3ccccc3-c3ccncc3)(C(=O)NCC(C)C)C2)n1.

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

The InChIKey is MERHISGXZXIWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-21(2)18-30-27(33)28(13-16-32(20-28)19-25-9-6-7-22(3)31-25)17-24-8-4-5-10-26(24)23-11-14-29-15-12-23/h4-12,14-15,21H,13,16-20H2,1-3H3,(H,30,33).

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

N-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 4.66, 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-[(6-methyl-2-pyridinyl)methyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).