N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C14H14BrN3O — CID 104623080

IUPACN-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H14BrN3O/c1-3-12-10(8-9(2)17-18-12)14(19)16-13-7-5-4-6-11(13)15/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyWHWFAAYPGIABTM-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.36
Rot. Bonds3

About N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104623080) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104623080
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H14BrN3O/c1-3-12-10(8-9(2)17-18-12)14(19)16-13-7-5-4-6-11(13)15/h4-8H,3H2,1-2H3,(H,16,19)
InChIKeyWHWFAAYPGIABTM-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624333
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104757159
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(2-chloro-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 136905898
N-(5-amino-3-bromo-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669267
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
CID 104625709
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
N-(3-amino-2,6-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669076

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104623080) is N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is WHWFAAYPGIABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-3-12-10(8-9(2)17-18-12)14(19)16-13-7-5-4-6-11(13)15/h4-8H,3H2,1-2H3,(H,16,19).
What are the key properties of N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104623080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).