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

• ChemBase ID: 364457
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: n1(c(=O)cccc1)CC(=O)NCCCc1occc1
• Canonical SMILES: O=C(Cn1ccccc1=O)NCCCc1ccco1
• InChI: InChI=1S/C14H16N2O3/c17-13(11-16-9-2-1-7-14(16)18)15-8-3-5-12-6-4-10-19-12/h1-2,4,6-7,9-10H,3,5,8,11H2,(H,15,17)
• InChIKey: ZUBDKJOKUMYGLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.968959
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4972969
• LogD (pH = 7.4): 0.4972969
• Log P: 0.4972969
• Molar Refractivity: 72.259 cm^3
• Polarizability: 26.835772 Å^3
• Polar Surface Area: 62.55 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: 0.5
• LOG S: -1.53
• Polar Surface Area: 64.24 Å^2
• Rotatable Bonds: 6