3-fluoro-N-(furan-2-ylmethyl)-N-propylpyridine-4-carboxamide

• ChemBase ID: 700226
• Molecular Formular: C14H15FN2O2
• Molecular Mass: 262.2795032
• Monoisotopic Mass: 262.11175595
• SMILES: C(=O)(c1c(F)cncc1)N(Cc1occc1)CCC
• Canonical SMILES: CCCN(C(=O)c1ccncc1F)Cc1ccco1
• InChI: InChI=1S/C14H15FN2O2/c1-2-7-17(10-11-4-3-8-19-11)14(18)12-5-6-16-9-13(12)15/h3-6,8-9H,2,7,10H2,1H3
• InChIKey: MLEWCWATSCSOTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-(furan-2-ylmethyl)-N-propylpyridine-4-carboxamide
• IUPAC Traditional name: 3-fluoro-N-(furan-2-ylmethyl)-N-propylpyridine-4-carboxamide
• Synonyms: 3-fluoro-N-(2-furylmethyl)-N-propylisonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8602898
• LogD (pH = 7.4): 1.8603175
• Log P: 1.8603178
• Molar Refractivity: 69.2654 cm^3
• Polarizability: 25.801413 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.11
• LOG S: -2.2
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3