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

• ChemBase ID: 548968
• Molecular Formular: C19H22FN3O3
• Molecular Mass: 359.3946832
• Monoisotopic Mass: 359.1645198
• SMILES: c1(c(nc(cc1C)C)OC)CNC(=O)CCNC(=O)c1ccc(cc1)F
• Canonical SMILES: COc1nc(C)cc(c1CNC(=O)CCNC(=O)c1ccc(cc1)F)C
• InChI: InChI=1S/C19H22FN3O3/c1-12-10-13(2)23-19(26-3)16(12)11-22-17(24)8-9-21-18(25)14-4-6-15(20)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,21,25)(H,22,24)
• InChIKey: POWPRNHUWCDPJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-fluorophenyl)formamido]-N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]propanamide
• IUPAC Traditional name: 3-[(4-fluorophenyl)formamido]-N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]propanamide
• Synonyms: 4-fluoro-N-(3-{[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]amino}-3-oxopropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.2881155
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8838403
• LogD (pH = 7.4): 1.9100275
• Log P: 1.9103721
• Molar Refractivity: 96.6175 cm^3
• Polarizability: 36.187737 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.79
• LOG S: -4.2
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 7