6-(4-fluoro-2-methoxyphenyl)-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 855427
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: C(=O)(c1cnc(c2c(cc(cc2)F)OC)cc1)N(C)C
• Canonical SMILES: COc1cc(F)ccc1c1ccc(cn1)C(=O)N(C)C
• InChI: InChI=1S/C15H15FN2O2/c1-18(2)15(19)10-4-7-13(17-9-10)12-6-5-11(16)8-14(12)20-3/h4-9H,1-3H3
• InChIKey: ZTFYZEVBVVVJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluoro-2-methoxyphenyl)-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-(4-fluoro-2-methoxyphenyl)-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-(4-fluoro-2-methoxyphenyl)-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0713937
• LogD (pH = 7.4): 2.0716686
• Log P: 2.0716722
• Molar Refractivity: 74.2167 cm^3
• Polarizability: 29.065777 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.71
• LOG S: -1.81
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3