N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide

C12H11BrN4O — CID 113456213

IUPACN-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccnnc2)cc1N
InChIInChI=1S/C12H11BrN4O/c1-7-4-9(13)11(5-10(7)14)17-12(18)8-2-3-15-16-6-8/h2-6H,14H2,1H3,(H,17,18)
InChIKeyIJBJWYKSAVHFSK-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.38
Rot. Bonds2

About N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide

N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide (PubChem CID 113456213) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
PubChem CID113456213
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccnnc2)cc1N
InChIInChI=1S/C12H11BrN4O/c1-7-4-9(13)11(5-10(7)14)17-12(18)8-2-3-15-16-6-8/h2-6H,14H2,1H3,(H,17,18)
InChIKeyIJBJWYKSAVHFSK-UHFFFAOYSA-N
XLogP2.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104814325

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide (CID 113456213) is N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide is Cc1cc(Br)c(NC(=O)c2ccnnc2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide?
The InChIKey is IJBJWYKSAVHFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-4-9(13)11(5-10(7)14)17-12(18)8-2-3-15-16-6-8/h2-6H,14H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide?
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 113456213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).