3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-N-(pyridin-3-yl)propanamide

• ChemBase ID: 526356
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: C12([C@@H](C[C@@H]1OC)O)CCN(CCC(=O)Nc1cnccc1)CC2
• Canonical SMILES: CO[C@H]1C[C@H](C21CCN(CC2)CCC(=O)Nc1cccnc1)O
• InChI: InChI=1S/C17H25N3O3/c1-23-15-11-14(21)17(15)5-9-20(10-6-17)8-4-16(22)19-13-3-2-7-18-12-13/h2-3,7,12,14-15,21H,4-6,8-11H2,1H3,(H,19,22)/t14-,15+/m1/s1
• InChIKey: UXXSJDDVONVVFE-CABCVRRESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-N-(pyridin-3-yl)propanamide
• IUPAC Traditional name: 3-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-N-(pyridin-3-yl)propanamide
• Synonyms: 3-[(1R*,3S*)-1-hydroxy-3-methoxy-7-azaspiro[3.5]non-7-yl]-N-pyridin-3-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.66878
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.527312
• LogD (pH = 7.4): -1.8811796
• Log P: -0.35121953
• Molar Refractivity: 88.5956 cm^3
• Polarizability: 34.12011 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.25
• LOG S: -3.05
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 5