2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

C19H18ClN3O2 — CID 2024355

IUPAC2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2=CCC(=O)N(c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-9-13(2)11-15(10-12)21-19(25)17-7-8-18(24)23(22-17)16-5-3-14(20)4-6-16/h3-7,9-11,22H,8H2,1-2H3,(H,21,25)
InChIKeyQPHQYELEDSXOSI-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (PubChem CID 2024355) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
PubChem CID2024355
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2=CCC(=O)N(c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-9-13(2)11-15(10-12)21-19(25)17-7-8-18(24)23(22-17)16-5-3-14(20)4-6-16/h3-7,9-11,22H,8H2,1-2H3,(H,21,25)
InChIKeyQPHQYELEDSXOSI-UHFFFAOYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(4-ethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2019686
ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
CID 2010038
N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2019625
N-(3,4-dimethoxyphenyl)-3-oxo-2-phenyl-1,4-dihydropyridazine-6-carboxamide
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2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide
CID 2029285
2-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2017874
1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
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4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide
CID 38898615
4-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2951730
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
N-(3,5-dimethylphenyl)-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (CID 2024355) is 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is Cc1cc(C)cc(NC(=O)C2=CCC(=O)N(c3ccc(Cl)cc3)N2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The InChIKey is QPHQYELEDSXOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-9-13(2)11-15(10-12)21-19(25)17-7-8-18(24)23(22-17)16-5-3-14(20)4-6-16/h3-7,9-11,22H,8H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is sourced from PubChem (CID 2024355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).