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

• ChemBase ID: 487871
• Molecular Formular: C20H23N3O
• Molecular Mass: 321.41612
• Monoisotopic Mass: 321.18411237
• SMILES: n1(c(cc2c1cccc2)C)CCN(C(=O)CCc1ccncc1)C
• Canonical SMILES: O=C(N(CCn1c(C)cc2c1cccc2)C)CCc1ccncc1
• InChI: InChI=1S/C20H23N3O/c1-16-15-18-5-3-4-6-19(18)23(16)14-13-22(2)20(24)8-7-17-9-11-21-12-10-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3
• InChIKey: BKUMEAGLODZEQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 2.80202
• Molar Refractivity: 96.6472 cm^3
• Polarizability: 38.290886 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6854544
• LogD (pH = 7.4): 2.8002791

供应商提供(Chembridge)

• Log P: 2.92
• LOG S: -2.74
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6
• H Acceptors: 2
• H Donor: 0