6-[(1R,5S,8R)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]pyridin-2-amine

• ChemBase ID: 447745
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: N1(C(=O)c2nc(N)ccc2)C[C@H]2[C@H]([C@@H](C1)CC2)OC
• Canonical SMILES: CO[C@@H]1[C@H]2CC[C@@H]1CN(C2)C(=O)c1cccc(n1)N
• InChI: InChI=1S/C14H19N3O2/c1-19-13-9-5-6-10(13)8-17(7-9)14(18)11-3-2-4-12(15)16-11/h2-4,9-10,13H,5-8H2,1H3,(H2,15,16)/t9-,10+,13+
• InChIKey: BSCMVJBLOHIKCQ-IWIIMEHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(1R,5S,8R)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]pyridin-2-amine
• IUPAC Traditional name: 6-[(1R,5S,8R)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]pyridin-2-amine
• Synonyms: 6-{[(8-syn)-8-methoxy-3-azabicyclo[3.2.1]oct-3-yl]carbonyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.66019005
• LogD (pH = 7.4): 0.6610441
• Log P: 0.661055
• Molar Refractivity: 72.9209 cm^3
• Polarizability: 27.394842 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.36
• LOG S: -1.41
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 2