2-(4-fluoro-3-methylphenyl)-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 498329
• Molecular Formular: C15H15FN2O
• Molecular Mass: 258.2908032
• Monoisotopic Mass: 258.11684133
• SMILES: c1(C(=O)N(C)C)c(c2cc(c(cc2)F)C)nccc1
• Canonical SMILES: CN(C(=O)c1cccnc1c1ccc(c(c1)C)F)C
• InChI: InChI=1S/C15H15FN2O/c1-10-9-11(6-7-13(10)16)14-12(5-4-8-17-14)15(19)18(2)3/h4-9H,1-3H3
• InChIKey: LZYHLYSCJQWSHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoro-3-methylphenyl)-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 2-(4-fluoro-3-methylphenyl)-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 2-(4-fluoro-3-methylphenyl)-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7394102
• LogD (pH = 7.4): 2.7427225
• Log P: 2.7427647
• Molar Refractivity: 72.7947 cm^3
• Polarizability: 28.309319 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.26
• LOG S: -2.16
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2