N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide

C13H12BrN3O — CID 106491133

IUPACN-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnnc2)cc(C)c1Br
InChIInChI=1S/C13H12BrN3O/c1-8-5-11(6-9(2)12(8)14)17-13(18)10-3-4-15-16-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyXFRGDEWCMMFPAJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.11
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide

N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide (PubChem CID 106491133) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
PubChem CID106491133
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnnc2)cc(C)c1Br
InChIInChI=1S/C13H12BrN3O/c1-8-5-11(6-9(2)12(8)14)17-13(18)10-3-4-15-16-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyXFRGDEWCMMFPAJ-UHFFFAOYSA-N
XLogP3.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 107578271
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(3-ethyl-8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-4-carboxamide
CID 171446418
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
N-(5-methyl-1H-pyrazol-3-yl)pyridazine-4-carboxamide
CID 115736164

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide (CID 106491133) is N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide is Cc1cc(NC(=O)c2ccnnc2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide?
The InChIKey is XFRGDEWCMMFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-5-11(6-9(2)12(8)14)17-13(18)10-3-4-15-16-7-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 106491133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).