2-(2-oxo-1,2-dihydropyridin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

• ChemBase ID: 480245
• Molecular Formular: C14H19N3O3
• Molecular Mass: 277.31896
• Monoisotopic Mass: 277.14264148
• SMILES: n1(c(=O)cccc1)CC(=O)NCCCN1C(=O)CCC1
• Canonical SMILES: O=C(Cn1ccccc1=O)NCCCN1CCCC1=O
• InChI: InChI=1S/C14H19N3O3/c18-12(11-17-8-2-1-5-14(17)20)15-7-4-10-16-9-3-6-13(16)19/h1-2,5,8H,3-4,6-7,9-11H2,(H,15,18)
• InChIKey: BSTOFODNLPBXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-1,2-dihydropyridin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2-oxopyridin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
• Synonyms: 2-(2-oxopyridin-1(2H)-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.406667
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3322438
• LogD (pH = 7.4): -1.3322437
• Log P: -1.3322437
• Molar Refractivity: 75.7965 cm^3
• Polarizability: 28.245935 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -1.38
• LOG S: -1.35
• Polar Surface Area: 71.41 Å^2
• Rotatable Bonds: 6