6-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 688971
• Molecular Formular: C16H15N5O2
• Molecular Mass: 309.3226
• Monoisotopic Mass: 309.12257475
• SMILES: c1(=O)n2c(ncc1C(=O)NCc1ncc(nc1)C)cccc2C
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1cnc2n(c1=O)c(C)ccc2
• InChI: InChI=1S/C16H15N5O2/c1-10-6-18-12(7-17-10)8-20-15(22)13-9-19-14-5-3-4-11(2)21(14)16(13)23/h3-7,9H,8H2,1-2H3,(H,20,22)
• InChIKey: NYKDYKBDOUMCCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• Synonyms: 6-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.676617
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.75392944
• LogD (pH = 7.4): -0.7539164
• Log P: -0.7539142
• Molar Refractivity: 85.9095 cm^3
• Polarizability: 31.545408 Å^3
• Polar Surface Area: 87.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.48
• LOG S: -2.36
• Polar Surface Area: 89.25 Å^2
• Rotatable Bonds: 3