3-(2-fluorophenoxy)-N-(2,4,6-trimethylpyridin-3-yl)azetidine-1-carboxamide

• ChemBase ID: 450663
• Molecular Formular: C18H20FN3O2
• Molecular Mass: 329.3687032
• Monoisotopic Mass: 329.15395512
• SMILES: C(=O)(N1CC(C1)Oc1c(F)cccc1)Nc1c(nc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)c(c(n1)C)NC(=O)N1CC(C1)Oc1ccccc1F
• InChI: InChI=1S/C18H20FN3O2/c1-11-8-12(2)20-13(3)17(11)21-18(23)22-9-14(10-22)24-16-7-5-4-6-15(16)19/h4-8,14H,9-10H2,1-3H3,(H,21,23)
• InChIKey: FAWNJAFYYMWCCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenoxy)-N-(2,4,6-trimethylpyridin-3-yl)azetidine-1-carboxamide
• IUPAC Traditional name: 3-(2-fluorophenoxy)-N-(2,4,6-trimethylpyridin-3-yl)azetidine-1-carboxamide
• Synonyms: 3-(2-fluorophenoxy)-N-(2,4,6-trimethylpyridin-3-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.679454
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.405228
• LogD (pH = 7.4): 2.4797058
• Log P: 2.5582457
• Molar Refractivity: 89.9282 cm^3
• Polarizability: 33.651314 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.61
• LOG S: -3.83
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3