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

C19H18BrN3O2 — CID 4673811

IUPAC1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)c(C)c1
InChIInChI=1S/C19H18BrN3O2/c1-12-3-8-16(13(2)11-12)21-19(25)17-9-10-18(24)23(22-17)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,21,25)
InChIKeyZVNLGDQHEHAKSE-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.19
Rot. Bonds3

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

1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 4673811) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID4673811
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)c(C)c1
InChIInChI=1S/C19H18BrN3O2/c1-12-3-8-16(13(2)11-12)21-19(25)17-9-10-18(24)23(22-17)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,21,25)
InChIKeyZVNLGDQHEHAKSE-UHFFFAOYSA-N
XLogP4.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4679749
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55906153
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3829150
1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16591096
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3537598
N-(3-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942417
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157467
N-(2,4-dichlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4268456
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 4673811) is 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(NC(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ZVNLGDQHEHAKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12-3-8-16(13(2)11-12)21-19(25)17-9-10-18(24)23(22-17)15-6-4-14(20)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 4673811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).