1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide

C24H25F3N4O3 — CID 112790033

About 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 112790033) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
• PubChem CID: 112790033
• Molecular Formula: C24H25F3N4O3
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.19
• IUPAC Name: 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
• SMILES: CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1
• InChI: InChI=1S/C24H25F3N4O3/c1-4-11-30(13-20(32)28-17-8-7-16(25)22(26)23(17)27)24(34)18-9-10-21(33)31(29-18)19-12-14(2)5-6-15(19)3/h5-8,12H,4,9-11,13H2,1-3H3,(H,28,32)
• InChIKey: DVSHQHWQVSDRNT-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 82.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide?

The IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide (CID 112790033) is 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide.

What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide?

The canonical SMILES for 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1.

What is the InChIKey of 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide?

The InChIKey is DVSHQHWQVSDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-4-11-30(13-20(32)28-17-8-7-16(25)22(26)23(17)27)24(34)18-9-10-21(33)31(29-18)19-12-14(2)5-6-15(19)3/h5-8,12H,4,9-11,13H2,1-3H3,(H,28,32).

What are the key properties of 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide?

1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethylphenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 112790033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).