N-(6-chloro-2-methylpyridin-3-yl)-3-(2-ethylphenoxy)azetidine-1-carboxamide

• ChemBase ID: 573632
• Molecular Formular: C18H20ClN3O2
• Molecular Mass: 345.8233
• Monoisotopic Mass: 345.12440458
• SMILES: N1(C(=O)Nc2c(nc(cc2)Cl)C)CC(C1)Oc1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1OC1CN(C1)C(=O)Nc1ccc(nc1C)Cl
• InChI: InChI=1S/C18H20ClN3O2/c1-3-13-6-4-5-7-16(13)24-14-10-22(11-14)18(23)21-15-8-9-17(19)20-12(15)2/h4-9,14H,3,10-11H2,1-2H3,(H,21,23)
• InChIKey: UOLXFEGZVCOJJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-chloro-2-methylpyridin-3-yl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
• IUPAC Traditional name: N-(6-chloro-2-methylpyridin-3-yl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
• Synonyms: N-(6-chloro-2-methylpyridin-3-yl)-3-(2-ethylphenoxy)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.27287
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5529463
• LogD (pH = 7.4): 3.5529585
• Log P: 3.5529642
• Molar Refractivity: 95.5874 cm^3
• Polarizability: 35.984646 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.66
• LOG S: -4.85
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4