N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 504896
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(c(=O)n2c(nc1)cccc2)C(=O)N(C(C(C)C)C)Cc1occc1
• Canonical SMILES: CC(C(N(C(=O)c1cnc2n(c1=O)cccc2)Cc1ccco1)C)C
• InChI: InChI=1S/C19H21N3O3/c1-13(2)14(3)22(12-15-7-6-10-25-15)19(24)16-11-20-17-8-4-5-9-21(17)18(16)23/h4-11,13-14H,12H2,1-3H3
• InChIKey: LYUWHFZGMMUHJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-(1,2-dimethylpropyl)-N-(2-furylmethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2113163
• LogD (pH = 7.4): 2.2113168
• Log P: 2.2113168
• Molar Refractivity: 95.7855 cm^3
• Polarizability: 35.788074 Å^3
• Polar Surface Area: 66.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -2.95
• Polar Surface Area: 67.82 Å^2
• Rotatable Bonds: 5