N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 459010
• Molecular Formular: C19H21N3O
• Molecular Mass: 307.38954
• Monoisotopic Mass: 307.16846231
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCc1ncccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCc1ccccn1
• InChI: InChI=1S/C19H21N3O/c1-12-8-13(2)19-17(9-12)16(14(3)22-19)10-18(23)21-11-15-6-4-5-7-20-15/h4-9,22H,10-11H2,1-3H3,(H,21,23)
• InChIKey: SUWDVNUUSZJGQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-(2-pyridinylmethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.923184
• LogD (pH = 7.4): 2.9409347
• Log P: 2.9411662
• Molar Refractivity: 92.3366 cm^3
• Polarizability: 36.28032 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.488301

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.17
• LOG S: -2.0
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 4