N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide

C14H14BrN3O — CID 104670586

IUPACN-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)c(C)nn1
InChIInChI=1S/C14H14BrN3O/c1-8-5-4-6-12(13(8)15)16-14(19)11-7-9(2)17-18-10(11)3/h4-7H,1-3H3,(H,16,19)
InChIKeyVJBATEFGYDHMKI-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.42
Rot. Bonds2

About N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104670586) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104670586
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)c(C)nn1
InChIInChI=1S/C14H14BrN3O/c1-8-5-4-6-12(13(8)15)16-14(19)11-7-9(2)17-18-10(11)3/h4-7H,1-3H3,(H,16,19)
InChIKeyVJBATEFGYDHMKI-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
CID 104669683
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
N-(4-hydroxy-2,5-dimethylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136762066
N-(2-bromo-3-methylphenyl)-2-chloro-4-methylbenzamide
CID 106509671
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
N-(3-bromo-4-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344575
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
N-(4-chloro-2-iodophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 103881032

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104670586) is N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2Br)c(C)nn1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is VJBATEFGYDHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-5-4-6-12(13(8)15)16-14(19)11-7-9(2)17-18-10(11)3/h4-7H,1-3H3,(H,16,19).
What are the key properties of N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104670586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).