2-oxo-N-[3-(pyridin-3-yl)propyl]-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 766966
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: C(=O)(N1CCCC1)C(=O)NCCCc1cnccc1
• Canonical SMILES: O=C(C(=O)NCCCc1cccnc1)N1CCCC1
• InChI: InChI=1S/C14H19N3O2/c18-13(14(19)17-9-1-2-10-17)16-8-4-6-12-5-3-7-15-11-12/h3,5,7,11H,1-2,4,6,8-10H2,(H,16,18)
• InChIKey: OSCVVJWTGSAULU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-[3-(pyridin-3-yl)propyl]-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: 2-oxo-N-[3-(pyridin-3-yl)propyl]-2-(pyrrolidin-1-yl)acetamide
• Synonyms: 2-oxo-N-(3-pyridin-3-ylpropyl)-2-pyrrolidin-1-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.161063
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.34676373
• LogD (pH = 7.4): 0.43788764
• Log P: 0.43921942
• Molar Refractivity: 72.1258 cm^3
• Polarizability: 27.701712 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.01
• LOG S: -1.12
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5