N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide

C26H39F3N4O3 — CID 171493297

About N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide

N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide (PubChem CID 171493297) has the molecular formula C26H39F3N4O3 and a molecular weight of 512.62 g/mol. Its IUPAC name is N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide.

Molecular Properties

• Compound Name: N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide
• PubChem CID: 171493297
• Molecular Formula: C26H39F3N4O3
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.30
• IUPAC Name: N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide
• SMILES: CCCN(CCCCCC(=O)C1CC1)C(=O)CCN(C)C1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C
• InChI: InChI=1S/C26H39F3N4O3/c1-5-13-33(14-8-6-7-9-19(34)17-10-11-17)20(35)12-15-32(4)23-22-18(16-25(23,2)3)21(26(27,28)29)24(36)31-30-22/h17,23H,5-16H2,1-4H3,(H,31,36)
• InChIKey: YTSRAWNDTLPTQM-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide?

The IUPAC name of N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide (CID 171493297) is N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide.

What is the SMILES notation for N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide?

The canonical SMILES for N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide is CCCN(CCCCCC(=O)C1CC1)C(=O)CCN(C)C1c2n[nH]c(=O)c(C(F)(F)F)c2CC1(C)C.

What is the InChIKey of N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide?

The InChIKey is YTSRAWNDTLPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39F3N4O3/c1-5-13-33(14-8-6-7-9-19(34)17-10-11-17)20(35)12-15-32(4)23-22-18(16-25(23,2)3)21(26(27,28)29)24(36)31-30-22/h17,23H,5-16H2,1-4H3,(H,31,36).

What are the key properties of N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide?

N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide has a molecular weight of 512.62 g/mol, XLogP of 4.51, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyclopropyl-6-oxohexyl)-3-[[6,6-dimethyl-3-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-7-yl]-methylamino]-N-propylpropanamide is sourced from PubChem (CID 171493297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).