5-hydroxy-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyrazine-2-carboxamide

• ChemBase ID: 347851
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: C(=O)(c1ncc(nc1)O)N(C(Cc1nccc(c1)C)C)C
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1cnc(cn1)O)C)C
• InChI: InChI=1S/C15H18N4O2/c1-10-4-5-16-12(6-10)7-11(2)19(3)15(21)13-8-18-14(20)9-17-13/h4-6,8-9,11H,7H2,1-3H3,(H,18,20)
• InChIKey: JHSNGWDMZSTPKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-hydroxy-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyrazine-2-carboxamide
• Synonyms: 5-hydroxy-N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.696133
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0706307
• LogD (pH = 7.4): 1.2625608
• Log P: 1.2679176
• Molar Refractivity: 78.6313 cm^3
• Polarizability: 29.828573 Å^3
• Polar Surface Area: 79.21 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: 0.6
• LOG S: -0.5
• Polar Surface Area: 79.21 Å^2
• Rotatable Bonds: 4