1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C19H16FN3O3 — CID 8557146

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H16FN3O3/c1-12-4-3-5-14(10-12)21-19(25)18-16(26-2)11-17(24)23(22-18)15-8-6-13(20)7-9-15/h3-11H,1-2H3,(H,21,25)
InChIKeyQIZLIUGIIQYQHO-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 8557146) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID8557146
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H16FN3O3/c1-12-4-3-5-14(10-12)21-19(25)18-16(26-2)11-17(24)23(22-18)15-8-6-13(20)7-9-15/h3-11H,1-2H3,(H,21,25)
InChIKeyQIZLIUGIIQYQHO-UHFFFAOYSA-N
XLogP2.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555936
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 8557178
N-(4-fluoro-3-nitrophenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553999
N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554755
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
ethyl 1-(4-fluorophenyl)-4-[2-(2-methoxy-5-methylanilino)-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 18579881

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 8557146) is 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is QIZLIUGIIQYQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-12-4-3-5-14(10-12)21-19(25)18-16(26-2)11-17(24)23(22-18)15-8-6-13(20)7-9-15/h3-11H,1-2H3,(H,21,25).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8557146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).