5-(4-cyclohexyl-1,4-diazepane-1-carbonyl)-N-(1-cyclopropylethyl)pyridin-2-amine

• ChemBase ID: 506175
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: C(=O)(N1CCN(C2CCCCC2)CCC1)c1cnc(NC(C2CC2)C)cc1
• Canonical SMILES: CC(C1CC1)Nc1ccc(cn1)C(=O)N1CCCN(CC1)C1CCCCC1
• InChI: InChI=1S/C22H34N4O/c1-17(18-8-9-18)24-21-11-10-19(16-23-21)22(27)26-13-5-12-25(14-15-26)20-6-3-2-4-7-20/h10-11,16-18,20H,2-9,12-15H2,1H3,(H,23,24)
• InChIKey: UGTPMFUEBXAPQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-cyclohexyl-1,4-diazepane-1-carbonyl)-N-(1-cyclopropylethyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-cyclohexyl-1,4-diazepane-1-carbonyl)-N-(1-cyclopropylethyl)pyridin-2-amine
• Synonyms: 5-[(4-cyclohexyl-1,4-diazepan-1-yl)carbonyl]-N-(1-cyclopropylethyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.25929692
• LogD (pH = 7.4): 1.3980815
• Log P: 3.0243037
• Molar Refractivity: 111.5707 cm^3
• Polarizability: 42.207912 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: 3.67
• LOG S: -4.42
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5