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

• ChemBase ID: 393483
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: c1(C(=O)N(C)C)c(c2cc(c(cc2)OC)F)nccc1
• Canonical SMILES: COc1ccc(cc1F)c1ncccc1C(=O)N(C)C
• InChI: InChI=1S/C15H15FN2O2/c1-18(2)15(19)11-5-4-8-17-14(11)10-6-7-13(20-3)12(16)9-10/h4-9H,1-3H3
• InChIKey: PPRYYPQZWNLFCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.068766
• LogD (pH = 7.4): 2.0716355
• Log P: 2.0716722
• Molar Refractivity: 74.2167 cm^3
• Polarizability: 29.065905 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: 0.66
• LOG S: -1.76
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3