(3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H32N4O3 — CID 92592175

About (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92592175) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
• PubChem CID: 92592175
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
• SMILES: CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1
• InChI: InChI=1S/C26H32N4O3/c1-3-28-25(33)26(17-20-6-4-7-22(16-20)21-9-12-27-13-10-21)11-15-29(18-26)24(32)19(2)30-14-5-8-23(30)31/h4,6-7,9-10,12-13,16,19H,3,5,8,11,14-15,17-18H2,1-2H3,(H,28,33)/t19-,26-/m1/s1
• InChIKey: ORXTWQHVOSEYEF-NIYFSFCBSA-N
• XLogP: 2.66
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92592175) is (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1.

What is the InChIKey of (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

The InChIKey is ORXTWQHVOSEYEF-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-28-25(33)26(17-20-6-4-7-22(16-20)21-9-12-27-13-10-21)11-15-29(18-26)24(32)19(2)30-14-5-8-23(30)31/h4,6-7,9-10,12-13,16,19H,3,5,8,11,14-15,17-18H2,1-2H3,(H,28,33)/t19-,26-/m1/s1.

What are the key properties of (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?

(3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).