5-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]pyridine-3-carboxamide

• ChemBase ID: 499117
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: C(=O)(c1cc(cnc1)C)NC(Cc1nccnc1)C
• Canonical SMILES: CC(NC(=O)c1cncc(c1)C)Cc1nccnc1
• InChI: InChI=1S/C14H16N4O/c1-10-5-12(8-16-7-10)14(19)18-11(2)6-13-9-15-3-4-17-13/h3-5,7-9,11H,6H2,1-2H3,(H,18,19)
• InChIKey: ZEXYITVTCQHRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 5-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]pyridine-3-carboxamide
• Synonyms: 5-methyl-N-[1-methyl-2-(2-pyrazinyl)ethyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.036983
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.35218787
• LogD (pH = 7.4): 0.367302
• Log P: 0.36749905
• Molar Refractivity: 71.8122 cm^3
• Polarizability: 27.355907 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.56
• LOG S: -2.85
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4