N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(pyrazin-2-ylformamido)acetamide

• ChemBase ID: 226159
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CNC(=O)c1nccnc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CNC(=O)c1cnccn1)c[nH]2
• InChI: InChI=1S/C18H19N5O3/c1-26-13-2-3-15-14(8-13)12(9-22-15)4-5-21-17(24)11-23-18(25)16-10-19-6-7-20-16/h2-3,6-10,22H,4-5,11H2,1H3,(H,21,24)(H,23,25)
• InChIKey: KPQSNZPKDHSSSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(pyrazin-2-ylformamido)acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(pyrazin-2-ylformamido)acetamide

Database IDs

• PubChem SID: 164282069
• PubChem CID: 71692129

CALCULATED PROPERTIES

• Acid pKa: 13.441841
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.15299079
• LogD (pH = 7.4): -0.15299089
• Log P: -0.15299053
• Molar Refractivity: 95.0681 cm^3
• Polarizability: 37.268562 Å^3
• Polar Surface Area: 109.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds