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

C20H16F3N3O3 — CID 8556110

IUPAC4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O3/c1-12-7-9-13(10-8-12)26-17(27)11-16(29-2)18(25-26)19(28)24-15-6-4-3-5-14(15)20(21,22)23/h3-11H,1-2H3,(H,24,28)
InChIKeyCMJWUQPIYRPMJT-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.82
Rot. Bonds4

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

4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 8556110) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID8556110
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O3/c1-12-7-9-13(10-8-12)26-17(27)11-16(29-2)18(25-26)19(28)24-15-6-4-3-5-14(15)20(21,22)23/h3-11H,1-2H3,(H,24,28)
InChIKeyCMJWUQPIYRPMJT-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 8556110) is 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is CMJWUQPIYRPMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-12-7-9-13(10-8-12)26-17(27)11-16(29-2)18(25-26)19(28)24-15-6-4-3-5-14(15)20(21,22)23/h3-11H,1-2H3,(H,24,28).
What are the key properties of 4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[2-(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-(4-methylphenyl)-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 8556110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).