2-[3-(pyridin-3-yl)azetidin-1-yl]-3-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 644013
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: N1(c2c(C(=O)N3CCCC3)cccn2)CC(C1)c1cnccc1
• Canonical SMILES: O=C(c1cccnc1N1CC(C1)c1cccnc1)N1CCCC1
• InChI: InChI=1S/C18H20N4O/c23-18(21-9-1-2-10-21)16-6-4-8-20-17(16)22-12-15(13-22)14-5-3-7-19-11-14/h3-8,11,15H,1-2,9-10,12-13H2
• InChIKey: AGDNNYVLXNSDQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(pyridin-3-yl)azetidin-1-yl]-3-(pyrrolidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-[3-(pyridin-3-yl)azetidin-1-yl]-3-(pyrrolidine-1-carbonyl)pyridine
• Synonyms: 2-[3-(3-pyridinyl)-1-azetidinyl]-3-(1-pyrrolidinylcarbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0987657
• LogD (pH = 7.4): 1.4400743
• Log P: 1.4457545
• Molar Refractivity: 90.3069 cm^3
• Polarizability: 33.45316 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.22
• LOG S: -1.27
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3