N-ethyl-6-(2-fluoro-6-methoxyphenyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyridine-3-carboxamide

• ChemBase ID: 507556
• Molecular Formular: C20H21FN4O2
• Molecular Mass: 368.4047432
• Monoisotopic Mass: 368.16485415
• SMILES: c1(n(ccn1)C)CN(C(=O)c1cnc(c2c(F)cccc2OC)cc1)CC
• Canonical SMILES: CCN(C(=O)c1ccc(nc1)c1c(F)cccc1OC)Cc1nccn1C
• InChI: InChI=1S/C20H21FN4O2/c1-4-25(13-18-22-10-11-24(18)2)20(26)14-8-9-16(23-12-14)19-15(21)6-5-7-17(19)27-3/h5-12H,4,13H2,1-3H3
• InChIKey: CHYVFEDIDUNHTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-(2-fluoro-6-methoxyphenyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyridine-3-carboxamide
• IUPAC Traditional name: N-ethyl-6-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
• Synonyms: N-ethyl-6-(2-fluoro-6-methoxyphenyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7827164
• LogD (pH = 7.4): 2.3136647
• Log P: 2.3313258
• Molar Refractivity: 100.7564 cm^3
• Polarizability: 39.085236 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -3.26
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6