2-methoxy-3-[3-(pyridin-4-yl)azetidine-1-carbonyl]pyridine

• ChemBase ID: 489219
• Molecular Formular: C15H15N3O2
• Molecular Mass: 269.2985
• Monoisotopic Mass: 269.11642674
• SMILES: N1(C(=O)c2c(nccc2)OC)CC(C1)c1ccncc1
• Canonical SMILES: COc1ncccc1C(=O)N1CC(C1)c1ccncc1
• InChI: InChI=1S/C15H15N3O2/c1-20-14-13(3-2-6-17-14)15(19)18-9-12(10-18)11-4-7-16-8-5-11/h2-8,12H,9-10H2,1H3
• InChIKey: LOBNVHUWEBEJSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-[3-(pyridin-4-yl)azetidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2-methoxy-3-[3-(pyridin-4-yl)azetidine-1-carbonyl]pyridine
• Synonyms: 2-methoxy-3-{[3-(4-pyridinyl)-1-azetidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.65984875
• LogD (pH = 7.4): 0.77253944
• Log P: 0.774242
• Molar Refractivity: 74.8005 cm^3
• Polarizability: 28.284113 Å^3
• Polar Surface Area: 55.32 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: 0.26
• LOG S: -1.4
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 3