N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,8-naphthyridine-2-carboxamide

• ChemBase ID: 510737
• Molecular Formular: C16H15N3O2
• Molecular Mass: 281.3092
• Monoisotopic Mass: 281.11642674
• SMILES: n1c(C(=O)N(Cc2oc(cc2)C)C)ccc2c1nccc2
• Canonical SMILES: Cc1ccc(o1)CN(C(=O)c1ccc2c(n1)nccc2)C
• InChI: InChI=1S/C16H15N3O2/c1-11-5-7-13(21-11)10-19(2)16(20)14-8-6-12-4-3-9-17-15(12)18-14/h3-9H,10H2,1-2H3
• InChIKey: QBFKWFAGNGJIMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,8-naphthyridine-2-carboxamide
• IUPAC Traditional name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,8-naphthyridine-2-carboxamide
• Synonyms: N-methyl-N-[(5-methyl-2-furyl)methyl]-1,8-naphthyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9063543
• LogD (pH = 7.4): 1.9063565
• Log P: 1.9063565
• Molar Refractivity: 80.0482 cm^3
• Polarizability: 30.118677 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.94
• LOG S: -2.06
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3