3-(2,6-dimethoxypyridin-3-yl)-N-ethylbenzamide

• ChemBase ID: 866218
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: n1c(c(c2cc(C(=O)NCC)ccc2)ccc1OC)OC
• Canonical SMILES: CCNC(=O)c1cccc(c1)c1ccc(nc1OC)OC
• InChI: InChI=1S/C16H18N2O3/c1-4-17-15(19)12-7-5-6-11(10-12)13-8-9-14(20-2)18-16(13)21-3/h5-10H,4H2,1-3H3,(H,17,19)
• InChIKey: YRAVVFXMZSGASE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethoxypyridin-3-yl)-N-ethylbenzamide
• IUPAC Traditional name: 3-(2,6-dimethoxypyridin-3-yl)-N-ethylbenzamide
• Synonyms: 3-(2,6-dimethoxypyridin-3-yl)-N-ethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.004362
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7074668
• LogD (pH = 7.4): 2.7074952
• Log P: 2.7074957
• Molar Refractivity: 81.3144 cm^3
• Polarizability: 31.935047 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.58
• LOG S: -3.49
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5