4-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl}pyridin-2-amine

• ChemBase ID: 318293
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: C(=O)(N1CCC2(CC(CN(C2)CC)c2ccccc2)CC1)c1cc(ncc1)N
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)C(=O)c1ccnc(c1)N)c1ccccc1
• InChI: InChI=1S/C23H30N4O/c1-2-26-16-20(18-6-4-3-5-7-18)15-23(17-26)9-12-27(13-10-23)22(28)19-8-11-25-21(24)14-19/h3-8,11,14,20H,2,9-10,12-13,15-17H2,1H3,(H2,24,25)
• InChIKey: FQYQCMQLVAERQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl}pyridin-2-amine
• IUPAC Traditional name: 4-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl}pyridin-2-amine
• Synonyms: 4-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)carbonyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0190226
• LogD (pH = 7.4): 0.3053041
• Log P: 2.5111256
• Molar Refractivity: 114.6386 cm^3
• Polarizability: 43.252193 Å^3
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.74
• LOG S: -4.3
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 3