N-cyclopentyl-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-10-carboxamide

• ChemBase ID: 217389
• Molecular Formular: C24H19N3O2
• Molecular Mass: 381.42656
• Monoisotopic Mass: 381.14772686
• SMILES: n12c(=O)c3c(c4c1c(c1c2cccc1)cc(n4)C(=O)NC1CCCC1)cccc3
• Canonical SMILES: O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)NC1CCCC1
• InChI: InChI=1S/C24H19N3O2/c28-23(25-14-7-1-2-8-14)19-13-18-15-9-5-6-12-20(15)27-22(18)21(26-19)16-10-3-4-11-17(16)24(27)29/h3-6,9-14H,1-2,7-8H2,(H,25,28)
• InChIKey: GHFHVWFLSQLSOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-19-oxo-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-10-carboxamide
• IUPAC Traditional name: N-cyclopentyl-19-oxo-1,11-diazapentacyclo[10.7.1.0^2,^7.0^8,^2^0.0^1^3,^1^8]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-10-carboxamide

Database IDs

• PubChem SID: 164273299
• PubChem CID: 8016736

CALCULATED PROPERTIES

• Acid pKa: 15.173314
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.921895
• LogD (pH = 7.4): 3.9218953
• Log P: 3.9218953
• Molar Refractivity: 109.9786 cm^3
• Polarizability: 45.674232 Å^3
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds