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

C27H30FN3O — CID 110231071

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

1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231071) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 110231071
• Molecular Formula: C27H30FN3O
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.24
• IUPAC Name: 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)C1
• InChI: InChI=1S/C27H30FN3O/c1-20(2)30-26(32)27(12-14-31(19-27)18-21-7-5-10-24(28)15-21)16-22-8-3-4-11-25(22)23-9-6-13-29-17-23/h3-11,13,15,17,20H,12,14,16,18-19H2,1-2H3,(H,30,32)
• InChIKey: VJSOBMQWJDJEFB-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231071) is 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)C1.

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

The InChIKey is VJSOBMQWJDJEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O/c1-20(2)30-26(32)27(12-14-31(19-27)18-21-7-5-10-24(28)15-21)16-22-8-3-4-11-25(22)23-9-6-13-29-17-23/h3-11,13,15,17,20H,12,14,16,18-19H2,1-2H3,(H,30,32).

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

1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).