N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C14H13BrClN3O — CID 104624333

IUPACN-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-3-12-10(6-8(2)18-19-12)14(20)17-13-7-9(15)4-5-11(13)16/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyWVJFLMCMDMPEKB-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.02
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104624333) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104624333
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-3-12-10(6-8(2)18-19-12)14(20)17-13-7-9(15)4-5-11(13)16/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyWVJFLMCMDMPEKB-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
N-(5-amino-2,4-dimethylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104757159
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104624333) is N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is WVJFLMCMDMPEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-3-12-10(6-8(2)18-19-12)14(20)17-13-7-9(15)4-5-11(13)16/h4-7H,3H2,1-2H3,(H,17,20).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104624333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).