N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide

C13H11BrIN3O — CID 113344575

IUPACN-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)c(Br)c2)c(C)nn1
InChIInChI=1S/C13H11BrIN3O/c1-7-5-10(8(2)18-17-7)13(19)16-9-3-4-12(15)11(14)6-9/h3-6H,1-2H3,(H,16,19)
InChIKeyWXMLMUAELPKZTQ-UHFFFAOYSA-N
MW432.06 g/mol
LogP3.71
Rot. Bonds2

About N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 113344575) has the molecular formula C13H11BrIN3O and a molecular weight of 432.06 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID113344575
Molecular FormulaC13H11BrIN3O
Molecular Weight432.06 g/mol
Exact Mass430.91
IUPAC NameN-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)c(Br)c2)c(C)nn1
InChIInChI=1S/C13H11BrIN3O/c1-7-5-10(8(2)18-17-7)13(19)16-9-3-4-12(15)11(14)6-9/h3-6H,1-2H3,(H,16,19)
InChIKeyWXMLMUAELPKZTQ-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.06
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
N-(6-bromo-3-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881040
N-[4-(hydroxymethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671138
N-(4-formylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 106912144
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
N-(3-amino-4-chlorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669063
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032
3-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669874
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 113344575) is N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(I)c(Br)c2)c(C)nn1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is WXMLMUAELPKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrIN3O/c1-7-5-10(8(2)18-17-7)13(19)16-9-3-4-12(15)11(14)6-9/h3-6H,1-2H3,(H,16,19).
What are the key properties of N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 432.06 g/mol, XLogP of 3.71, 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-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 113344575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).