N-[3-(2-fluorophenyl)propyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 572732
• Molecular Formular: C18H21FN2O2
• Molecular Mass: 316.3699432
• Monoisotopic Mass: 316.15870614
• SMILES: c1(c(=O)n(c(c(c1)C)C)C)C(=O)NCCCc1c(F)cccc1
• Canonical SMILES: O=C(c1cc(C)c(n(c1=O)C)C)NCCCc1ccccc1F
• InChI: InChI=1S/C18H21FN2O2/c1-12-11-15(18(23)21(3)13(12)2)17(22)20-10-6-8-14-7-4-5-9-16(14)19/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,20,22)
• InChIKey: HPHABRBJOBBCQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[3-(2-fluorophenyl)propyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.742465
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.290353
• LogD (pH = 7.4): 2.2903533
• Log P: 2.2903533
• Molar Refractivity: 90.0213 cm^3
• Polarizability: 33.294216 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: 2.44
• LOG S: -3.59
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5