1-ethyl-N-[2-(4-fluorophenyl)ethyl]-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 662940
• Molecular Formular: C16H17FN2O2
• Molecular Mass: 288.3167832
• Monoisotopic Mass: 288.12740601
• SMILES: c1(=O)cc(C(=O)NCCc2ccc(F)cc2)ccn1CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)NCCc1ccc(cc1)F
• InChI: InChI=1S/C16H17FN2O2/c1-2-19-10-8-13(11-15(19)20)16(21)18-9-7-12-3-5-14(17)6-4-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,18,21)
• InChIKey: DUZYQCMKABSADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-2-oxopyridine-4-carboxamide
• Synonyms: 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.823071
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.604969
• LogD (pH = 7.4): 1.6049695
• Log P: 1.6049695
• Molar Refractivity: 79.9927 cm^3
• Polarizability: 29.62213 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.24
• LOG S: -2.36
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5