N-cyclopentyl-2-({1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}amino)acetamide

• ChemBase ID: 221035
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c12c(c3c([nH]1)cccc3)CCN(C(=O)NCC(=O)NC1CCCC1)C2
• Canonical SMILES: O=C(NC1CCCC1)CNC(=O)N1CCc2c(C1)[nH]c1c2cccc1
• InChI: InChI=1S/C19H24N4O2/c24-18(21-13-5-1-2-6-13)11-20-19(25)23-10-9-15-14-7-3-4-8-16(14)22-17(15)12-23/h3-4,7-8,13,22H,1-2,5-6,9-12H2,(H,20,25)(H,21,24)
• InChIKey: ZOFBQPINVSJQCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-({1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl}amino)acetamide
• IUPAC Traditional name: N-cyclopentyl-2-{1H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonylamino}acetamide

Database IDs

• PubChem SID: 164276945
• PubChem CID: 42507156

CALCULATED PROPERTIES

• Acid pKa: 14.800268
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.3397377
• LogD (pH = 7.4): 1.3397377
• Log P: 1.3397377
• Molar Refractivity: 95.9356 cm^3
• Polarizability: 37.875183 Å^3
• Polar Surface Area: 77.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds