2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide

C9H10Br2N2O — CID 126830037

IUPAC2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide
SMILESCCN(C)C(=O)c1cc(Br)nc(Br)c1
InChIInChI=1S/C9H10Br2N2O/c1-3-13(2)9(14)6-4-7(10)12-8(11)5-6/h4-5H,3H2,1-2H3
InChIKeyFHBQYPGFGAVCCX-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.70
Rot. Bonds2

About 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide

2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide (PubChem CID 126830037) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide
PubChem CID126830037
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide
SMILESCCN(C)C(=O)c1cc(Br)nc(Br)c1
InChIInChI=1S/C9H10Br2N2O/c1-3-13(2)9(14)6-4-7(10)12-8(11)5-6/h4-5H,3H2,1-2H3
InChIKeyFHBQYPGFGAVCCX-UHFFFAOYSA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6-dibromo-N-ethyl-N-methylpyridine-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

N-ethyl-2,6-diethynyl-N-methylpyridine-4-carboxamide
CID 155748425
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
N,3-diethyl-N-methylbenzamide
CID 89250993
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide (CID 126830037) is 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide is CCN(C)C(=O)c1cc(Br)nc(Br)c1.
What is the InChIKey of 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide?
The InChIKey is FHBQYPGFGAVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c1-3-13(2)9(14)6-4-7(10)12-8(11)5-6/h4-5H,3H2,1-2H3.
What are the key properties of 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide?
2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide has a molecular weight of 322.00 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-ethyl-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 126830037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).