1-cyclopentyl-5-oxo-N-[3-(pyridin-2-yl)propyl]pyrrolidine-3-carboxamide

• ChemBase ID: 500358
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCc1ncccc1)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCCc1ccccn1
• InChI: InChI=1S/C18H25N3O2/c22-17-12-14(13-21(17)16-8-1-2-9-16)18(23)20-11-5-7-15-6-3-4-10-19-15/h3-4,6,10,14,16H,1-2,5,7-9,11-13H2,(H,20,23)
• InChIKey: GIZLEVPHPLQZNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-5-oxo-N-[3-(pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-5-oxo-N-[3-(pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-5-oxo-N-[3-(2-pyridinyl)propyl]-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.86072177
• LogD (pH = 7.4): 0.9074682
• Log P: 0.9081006
• Molar Refractivity: 87.7605 cm^3
• Polarizability: 34.331493 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.570886
• H Acceptors: 3
• H Donor: 1

供应商提供(Chembridge)

• Log P: 0.8
• LOG S: -0.88
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1