4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C20H16F3N3O3 — CID 8555016

IUPAC4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O3/c1-12-5-3-4-6-15(12)26-17(27)11-16(29-2)18(25-26)19(28)24-14-9-7-13(8-10-14)20(21,22)23/h3-11H,1-2H3,(H,24,28)
InChIKeyWQBQXWHPMIFKBB-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.82
Rot. Bonds4

About 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 8555016) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID8555016
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O3/c1-12-5-3-4-6-15(12)26-17(27)11-16(29-2)18(25-26)19(28)24-14-9-7-13(8-10-14)20(21,22)23/h3-11H,1-2H3,(H,24,28)
InChIKeyWQBQXWHPMIFKBB-UHFFFAOYSA-N
XLogP3.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554755
4-methoxy-1-(2-methylphenyl)-N-(4-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 8554825
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555401
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071
dimethyl 2-[[4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 26842156
4-methoxy-N-(2-methyl-4-nitrophenyl)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554830
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798433
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 8555016) is 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is WQBQXWHPMIFKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-12-5-3-4-6-15(12)26-17(27)11-16(29-2)18(25-26)19(28)24-14-9-7-13(8-10-14)20(21,22)23/h3-11H,1-2H3,(H,24,28).
What are the key properties of 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 8555016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).