N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide

• ChemBase ID: 206000
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: [nH]1c2c(c3c1cccc3)cc(C(=O)NC1CCCCC1)nc2
• Canonical SMILES: O=C(c1ncc2c(c1)c1ccccc1[nH]2)NC1CCCCC1
• InChI: InChI=1S/C18H19N3O/c22-18(20-12-6-2-1-3-7-12)16-10-14-13-8-4-5-9-15(13)21-17(14)11-19-16/h4-5,8-12,21H,1-3,6-7H2,(H,20,22)
• InChIKey: HNJLYLMSNKKCLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-9H-pyrido[3,4-b]indole-3-carboxamide

Database IDs

• PubChem SID: 164261910
• PubChem CID: 1806437

CALCULATED PROPERTIES

• Acid pKa: 12.415726
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1326354
• LogD (pH = 7.4): 3.1326466
• Log P: 3.1326504
• Molar Refractivity: 85.9326 cm^3
• Polarizability: 35.373104 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds