1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

C18H14ClN3O2 — CID 7709813

IUPAC1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C18H14ClN3O2/c1-12-2-6-14(7-3-12)20-18(24)17-16(23)10-11-22(21-17)15-8-4-13(19)5-9-15/h2-11H,1H3,(H,20,24)
InChIKeyDUMOWLQYAUKPQW-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 7709813) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID7709813
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C18H14ClN3O2/c1-12-2-6-14(7-3-12)20-18(24)17-16(23)10-11-22(21-17)15-8-4-13(19)5-9-15/h2-11H,1H3,(H,20,24)
InChIKeyDUMOWLQYAUKPQW-UHFFFAOYSA-N
XLogP3.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
N-(4-hydroxyphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 178130115
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693130
N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
CID 2745061
1-(4-chlorophenyl)-3-[(E)-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 58072484
1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7692939
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
CID 172876438
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
3-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 66489916
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 7709813) is 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is DUMOWLQYAUKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-12-2-6-14(7-3-12)20-18(24)17-16(23)10-11-22(21-17)15-8-4-13(19)5-9-15/h2-11H,1H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7709813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).