N-(pyridin-3-yl)quinoxaline-6-carboxamide

• ChemBase ID: 432577
• Molecular Formular: C14H10N4O
• Molecular Mass: 250.2554
• Monoisotopic Mass: 250.08546096
• SMILES: C(=O)(c1cc2nccnc2cc1)Nc1cnccc1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)Nc1cccnc1
• InChI: InChI=1S/C14H10N4O/c19-14(18-11-2-1-5-15-9-11)10-3-4-12-13(8-10)17-7-6-16-12/h1-9H,(H,18,19)
• InChIKey: BXRKRPXOYOLWJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-3-yl)quinoxaline-6-carboxamide
• IUPAC Traditional name: N-(pyridin-3-yl)quinoxaline-6-carboxamide
• Synonyms: N-3-pyridinyl-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.428339
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.145634
• LogD (pH = 7.4): 1.1729236
• Log P: 1.1732907
• Molar Refractivity: 70.827 cm^3
• Polarizability: 27.772974 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -2.21
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 2