1-amino-N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)cyclobutane-1-carboxamide

• ChemBase ID: 334294
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(N(Cc2ccccc2)C)c(CNC(=O)C2(N)CCC2)cccn1
• Canonical SMILES: O=C(C1(N)CCC1)NCc1cccnc1N(Cc1ccccc1)C
• InChI: InChI=1S/C19H24N4O/c1-23(14-15-7-3-2-4-8-15)17-16(9-5-12-21-17)13-22-18(24)19(20)10-6-11-19/h2-5,7-9,12H,6,10-11,13-14,20H2,1H3,(H,22,24)
• InChIKey: SDHVEPUEEDNNDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-amino-N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)cyclobutane-1-carboxamide
• Synonyms: 1-amino-N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.230066
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0696774
• LogD (pH = 7.4): 1.1774299
• Log P: 2.3413134
• Molar Refractivity: 96.3847 cm^3
• Polarizability: 36.900673 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.55
• LOG S: -2.89
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 6