N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[1-(pyridin-4-yl)ethyl]acetamide

• ChemBase ID: 514984
• Molecular Formular: C19H21N3O
• Molecular Mass: 307.38954
• Monoisotopic Mass: 307.16846231
• SMILES: c1(c([nH]c2c1cccc2)C)CC(=O)N(C(c1ccncc1)C)C
• Canonical SMILES: O=C(N(C(c1ccncc1)C)C)Cc1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C19H21N3O/c1-13-17(16-6-4-5-7-18(16)21-13)12-19(23)22(3)14(2)15-8-10-20-11-9-15/h4-11,14,21H,12H2,1-3H3
• InChIKey: MCWLOBUSRVGPDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[1-(pyridin-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[1-(pyridin-4-yl)ethyl]acetamide
• Synonyms: N-methyl-2-(2-methyl-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.262468
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3648818
• LogD (pH = 7.4): 2.4715068
• Log P: 2.4731026
• Molar Refractivity: 92.0919 cm^3
• Polarizability: 36.4401 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.01
• LOG S: -1.86
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4