3-methyl-5-(5-methyl-1H-indol-3-yl)pyridin-2-amine

• ChemBase ID: 664499
• Molecular Formular: C15H15N3
• Molecular Mass: 237.2997
• Monoisotopic Mass: 237.1265975
• SMILES: c1(c2c([nH]c1)ccc(c2)C)c1cc(c(nc1)N)C
• Canonical SMILES: Cc1ccc2c(c1)c(c[nH]2)c1cnc(c(c1)C)N
• InChI: InChI=1S/C15H15N3/c1-9-3-4-14-12(5-9)13(8-17-14)11-6-10(2)15(16)18-7-11/h3-8,17H,1-2H3,(H2,16,18)
• InChIKey: NVKSBZXHJVTYMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-(5-methyl-1H-indol-3-yl)pyridin-2-amine
• IUPAC Traditional name: 3-methyl-5-(5-methyl-1H-indol-3-yl)pyridin-2-amine
• Synonyms: 3-methyl-5-(5-methyl-1H-indol-3-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.169825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.25403
• LogD (pH = 7.4): 3.2195573
• Log P: 3.293935
• Molar Refractivity: 75.2201 cm^3
• Polarizability: 30.406878 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 3.29
• LOG S: -3.74
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1