N-(furan-3-ylmethyl)-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 661795
• Molecular Formular: C13H14N2O3
• Molecular Mass: 246.26186
• Monoisotopic Mass: 246.10044232
• SMILES: c1(C(=O)N(Cc2cocc2)C)cn(c(=O)cc1)C
• Canonical SMILES: CN(C(=O)c1ccc(=O)n(c1)C)Cc1cocc1
• InChI: InChI=1S/C13H14N2O3/c1-14-8-11(3-4-12(14)16)13(17)15(2)7-10-5-6-18-9-10/h3-6,8-9H,7H2,1-2H3
• InChIKey: FRNAVHCGSZRUGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(furan-3-ylmethyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide
• Synonyms: N-(3-furylmethyl)-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.18071932
• LogD (pH = 7.4): 0.18071999
• Log P: 0.18071999
• Molar Refractivity: 67.6828 cm^3
• Polarizability: 24.99959 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.37
• LOG S: -1.99
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 3