N-methyl-4-(7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decane-2-carbonyl)pyridin-2-amine

• ChemBase ID: 860977
• Molecular Formular: C25H34N4O
• Molecular Mass: 406.56366
• Monoisotopic Mass: 406.27326173
• SMILES: N1(C(=O)c2cc(ncc2)NC)CC2(CN(Cc3ccc(cc3)C(C)C)CCC2)CC1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCC2(C1)CCCN(C2)Cc1ccc(cc1)C(C)C
• InChI: InChI=1S/C25H34N4O/c1-19(2)21-7-5-20(6-8-21)16-28-13-4-10-25(17-28)11-14-29(18-25)24(30)22-9-12-27-23(15-22)26-3/h5-9,12,15,19H,4,10-11,13-14,16-18H2,1-3H3,(H,26,27)
• InChIKey: VKBDDVIWDUNUGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decane-2-carbonyl)pyridin-2-amine
• IUPAC Traditional name: 4-{7-[(4-isopropylphenyl)methyl]-2,7-diazaspiro[4.5]decane-2-carbonyl}-N-methylpyridin-2-amine
• Synonyms: 4-{[7-(4-isopropylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.41887233
• LogD (pH = 7.4): 2.147144
• Log P: 3.638066
• Molar Refractivity: 124.8652 cm^3
• Polarizability: 46.936005 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.41
• LOG S: -5.84
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 3