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

• ChemBase ID: 226335
• Molecular Formular: C17H17N5O2
• Molecular Mass: 323.34918
• Monoisotopic Mass: 323.13822481
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)CNC(=O)c1nccnc1
• Canonical SMILES: O=C(CNC(=O)c1cnccn1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C17H17N5O2/c23-16(11-22-17(24)15-10-18-7-8-19-15)20-6-5-12-9-21-14-4-2-1-3-13(12)14/h1-4,7-10,21H,5-6,11H2,(H,20,23)(H,22,24)
• InChIKey: LPLISNAKRUREFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282245
• PubChem CID: 71692280

CALCULATED PROPERTIES

• Acid pKa: 13.445863
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.00468047
• LogD (pH = 7.4): 0.0046803737
• Log P: 0.0046807234
• Molar Refractivity: 88.6049 cm^3
• Polarizability: 34.743553 Å^3
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds