N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 454897
• Molecular Formular: C21H26N4O
• Molecular Mass: 350.45734
• Monoisotopic Mass: 350.21066147
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCNc1ncccc1C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCNc1ncccc1C
• InChI: InChI=1S/C21H26N4O/c1-13-10-15(3)20-18(11-13)17(16(4)25-20)12-19(26)22-8-9-24-21-14(2)6-5-7-23-21/h5-7,10-11,25H,8-9,12H2,1-4H3,(H,22,26)(H,23,24)
• InChIKey: JCFJUHFFFZGNJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-{2-[(3-methyl-2-pyridinyl)amino]ethyl}-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.852786
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.2647502
• LogD (pH = 7.4): 3.3471282
• Log P: 3.517599
• Molar Refractivity: 107.8837 cm^3
• Polarizability: 41.01926 Å^3
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.16
• LOG S: -4.45
• Polar Surface Area: 69.81 Å^2
• Rotatable Bonds: 6