3,5-difluoro-N-methyl-N-(quinoxalin-2-ylmethyl)pyridine-2-carboxamide

• ChemBase ID: 736888
• Molecular Formular: C16H12F2N4O
• Molecular Mass: 314.2894864
• Monoisotopic Mass: 314.09791746
• SMILES: c1(C(=O)N(Cc2nc3c(nc2)cccc3)C)ncc(cc1F)F
• Canonical SMILES: Fc1cnc(c(c1)F)C(=O)N(Cc1cnc2c(n1)cccc2)C
• InChI: InChI=1S/C16H12F2N4O/c1-22(16(23)15-12(18)6-10(17)7-20-15)9-11-8-19-13-4-2-3-5-14(13)21-11/h2-8H,9H2,1H3
• InChIKey: GSNZQMAJQSFPHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-N-methyl-N-(quinoxalin-2-ylmethyl)pyridine-2-carboxamide
• IUPAC Traditional name: 3,5-difluoro-N-methyl-N-(quinoxalin-2-ylmethyl)pyridine-2-carboxamide
• Synonyms: 3,5-difluoro-N-methyl-N-(2-quinoxalinylmethyl)-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8565689
• LogD (pH = 7.4): 1.8565972
• Log P: 1.8565975
• Molar Refractivity: 78.3165 cm^3
• Polarizability: 30.63143 Å^3
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.17
• LOG S: -3.02
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 3