6-(2,6-dimethoxyphenyl)pyrazine-2-carboxamide

• ChemBase ID: 862750
• Molecular Formular: C13H13N3O3
• Molecular Mass: 259.26062
• Monoisotopic Mass: 259.09569129
• SMILES: n1c(c2c(OC)cccc2OC)cncc1C(=O)N
• Canonical SMILES: COc1cccc(c1c1cncc(n1)C(=O)N)OC
• InChI: InChI=1S/C13H13N3O3/c1-18-10-4-3-5-11(19-2)12(10)8-6-15-7-9(16-8)13(14)17/h3-7H,1-2H3,(H2,14,17)
• InChIKey: NPYWCEJLKMNGNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,6-dimethoxyphenyl)pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(2,6-dimethoxyphenyl)pyrazine-2-carboxamide
• Synonyms: 6-(2,6-dimethoxyphenyl)pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.363603
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.49212465
• LogD (pH = 7.4): 0.49212515
• Log P: 0.49212474
• Molar Refractivity: 68.1412 cm^3
• Polarizability: 27.37409 Å^3
• Polar Surface Area: 87.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.95
• LOG S: -1.9
• Polar Surface Area: 87.33 Å^2
• Rotatable Bonds: 4