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

• ChemBase ID: 393387
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: c1(=O)n2c(ncc1C(=O)NCCN1CC(c3ccccc3)CCC1)cccc2C
• Canonical SMILES: O=C(c1cnc2n(c1=O)c(C)ccc2)NCCN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C23H26N4O2/c1-17-7-5-11-21-25-15-20(23(29)27(17)21)22(28)24-12-14-26-13-6-10-19(16-26)18-8-3-2-4-9-18/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,24,28)
• InChIKey: UUOVRPMGZTVZAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.306814
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.74081963
• LogD (pH = 7.4): 1.0148542
• Log P: 2.111903
• Molar Refractivity: 116.2691 cm^3
• Polarizability: 43.317898 Å^3
• Polar Surface Area: 65.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.5
• LOG S: -4.18
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5