3-(1H-indol-3-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]propanamide

• ChemBase ID: 835779
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: [nH]1cc(c2c1cccc2)CCC(=O)NC(Cc1nccnc1)C
• Canonical SMILES: CC(Cc1cnccn1)NC(=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H20N4O/c1-13(10-15-12-19-8-9-20-15)22-18(23)7-6-14-11-21-17-5-3-2-4-16(14)17/h2-5,8-9,11-13,21H,6-7,10H2,1H3,(H,22,23)
• InChIKey: RHFZPLPACWZPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-indol-3-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]propanamide
• IUPAC Traditional name: 3-(1H-indol-3-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]propanamide
• Synonyms: 3-(1H-indol-3-yl)-N-(1-methyl-2-pyrazin-2-ylethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.345166
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5952418
• LogD (pH = 7.4): 1.5952461
• Log P: 1.5952461
• Molar Refractivity: 88.6668 cm^3
• Polarizability: 35.603893 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.96
• LOG S: -2.27
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6