N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide

C12H10BrN3O — CID 110859766

IUPACN-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnn2)cc1Br
InChIInChI=1S/C12H10BrN3O/c1-8-4-5-9(7-10(8)13)15-12(17)11-3-2-6-14-16-11/h2-7H,1H3,(H,15,17)
InChIKeyFCDQZKWDWSSJMP-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide

N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide (PubChem CID 110859766) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
PubChem CID110859766
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnn2)cc1Br
InChIInChI=1S/C12H10BrN3O/c1-8-4-5-9(7-10(8)13)15-12(17)11-3-2-6-14-16-11/h2-7H,1H3,(H,15,17)
InChIKeyFCDQZKWDWSSJMP-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
N-phenylpyridazine-3-carboxamide
CID 23633015
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
6-N-(3-bromo-4-methylphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094126
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112196

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide (CID 110859766) is N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cccnn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is FCDQZKWDWSSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-4-5-9(7-10(8)13)15-12(17)11-3-2-6-14-16-11/h2-7H,1H3,(H,15,17).
What are the key properties of N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide?
N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 110859766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).