2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]acetamide

• ChemBase ID: 640614
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: c1(c(nc(cc1C)C)OC)CNC(=O)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: COc1nc(C)cc(c1CNC(=O)C(c1ccc(cc1)F)N(C)C)C
• InChI: InChI=1S/C19H24FN3O2/c1-12-10-13(2)22-19(25-5)16(12)11-21-18(24)17(23(3)4)14-6-8-15(20)9-7-14/h6-10,17H,11H2,1-5H3,(H,21,24)
• InChIKey: HDEFHDLUMPOKGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1
• Log P: 3.09
• LOG S: -4.36

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.521729
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.20299
• LogD (pH = 7.4): 2.6024625
• Log P: 2.752396
• Molar Refractivity: 96.231 cm^3
• Polarizability: 36.669483 Å^3
• Polar Surface Area: 54.46 Å^2