4-(3-methylpyrazin-2-yl)benzamide

• ChemBase ID: 577392
• Molecular Formular: C12H11N3O
• Molecular Mass: 213.23524
• Monoisotopic Mass: 213.09021199
• SMILES: C(=O)(c1ccc(c2nccnc2C)cc1)N
• Canonical SMILES: Cc1nccnc1c1ccc(cc1)C(=O)N
• InChI: InChI=1S/C12H11N3O/c1-8-11(15-7-6-14-8)9-2-4-10(5-3-9)12(13)16/h2-7H,1H3,(H2,13,16)
• InChIKey: XWGSBCQTQMTVPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methylpyrazin-2-yl)benzamide
• IUPAC Traditional name: 4-(3-methylpyrazin-2-yl)benzamide
• Synonyms: 4-(3-methylpyrazin-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.165582
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.55296206
• LogD (pH = 7.4): 0.55298686
• Log P: 0.5529871
• Molar Refractivity: 60.1783 cm^3
• Polarizability: 24.089071 Å^3
• Polar Surface Area: 68.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.65
• LOG S: -1.31
• Polar Surface Area: 68.87 Å^2
• Rotatable Bonds: 2