2-{1-azabicyclo[3.2.1]octan-5-yloxy}-N-(pyridin-2-yl)benzamide

• ChemBase ID: 338100
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: C(=O)(c1c(OC23CN(CC2)CCC3)cccc1)Nc1ncccc1
• Canonical SMILES: O=C(c1ccccc1OC12CCCN(C2)CC1)Nc1ccccn1
• InChI: InChI=1S/C19H21N3O2/c23-18(21-17-8-3-4-11-20-17)15-6-1-2-7-16(15)24-19-9-5-12-22(14-19)13-10-19/h1-4,6-8,11H,5,9-10,12-14H2,(H,20,21,23)
• InChIKey: VXSNFXNGMFUWFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-azabicyclo[3.2.1]octan-5-yloxy}-N-(pyridin-2-yl)benzamide
• IUPAC Traditional name: 2-{1-azabicyclo[3.2.1]octan-5-yloxy}-N-(pyridin-2-yl)benzamide
• Synonyms: 2-(1-azabicyclo[3.2.1]oct-5-yloxy)-N-pyridin-2-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.140244
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7948403
• LogD (pH = 7.4): 0.5208562
• Log P: 2.580657
• Molar Refractivity: 94.2276 cm^3
• Polarizability: 35.677128 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: 4
• H Donor: 1
• Log P: 1.34
• LOG S: -2.7
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4