N,5,6-trimethyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 611459
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)N(Cc1cnc(nc1)NC)C
• Canonical SMILES: CNc1ncc(cn1)CN(C(=O)c1cc(C)c([nH]c1=O)C)C
• InChI: InChI=1S/C15H19N5O2/c1-9-5-12(13(21)19-10(9)2)14(22)20(4)8-11-6-17-15(16-3)18-7-11/h5-7H,8H2,1-4H3,(H,19,21)(H,16,17,18)
• InChIKey: XAXPJYCWYVWBHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,6-trimethyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N,5,6-trimethyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N,5,6-trimethyl-N-{[2-(methylamino)-5-pyrimidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002607
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.3591853
• LogD (pH = 7.4): -0.3576416
• Log P: -0.3575246
• Molar Refractivity: 87.253 cm^3
• Polarizability: 31.164476 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.72
• LOG S: -2.09
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 4