N-[1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylpyridine-4-carboxamide

• ChemBase ID: 555903
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(NC(c1cc(c(cc1)OC)OC)CC)c1cc(nc(c1)C)C
• Canonical SMILES: CCC(c1ccc(c(c1)OC)OC)NC(=O)c1cc(C)nc(c1)C
• InChI: InChI=1S/C19H24N2O3/c1-6-16(14-7-8-17(23-4)18(11-14)24-5)21-19(22)15-9-12(2)20-13(3)10-15/h7-11,16H,6H2,1-5H3,(H,21,22)
• InChIKey: QIZHRJGZGDCKQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylpyridine-4-carboxamide
• IUPAC Traditional name: N-[1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylpyridine-4-carboxamide
• Synonyms: N-[1-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylisonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.505542
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3631568
• LogD (pH = 7.4): 2.4397857
• Log P: 2.4408581
• Molar Refractivity: 93.541 cm^3
• Polarizability: 35.94407 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.22
• LOG S: -4.34
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 6