2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide

C11H14Br2N2O — CID 140870096

IUPAC2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(Br)nc(Br)c1
InChIInChI=1S/C11H14Br2N2O/c1-4-11(2,3)15-10(16)7-5-8(12)14-9(13)6-7/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyHDWGXNCSMZCJSO-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.53
Rot. Bonds3

About 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide

2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 140870096) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
PubChem CID140870096
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc(Br)nc(Br)c1
InChIInChI=1S/C11H14Br2N2O/c1-4-11(2,3)15-10(16)7-5-8(12)14-9(13)6-7/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyHDWGXNCSMZCJSO-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368395
N-(2-methylbutan-2-yl)-3,5-dinitrobenzamide
CID 7994128
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
1-(2,6-dibromo-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918467
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
3-bromo-2-methoxy-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65369014
4-bromo-N-(2-methylbutan-2-yl)-5-propylthiophene-2-carboxamide
CID 17374379
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
3-iodo-N-(2-methylbutan-2-yl)-5-(4-methylphenyl)benzamide
CID 126572715

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide (CID 140870096) is 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide is CCC(C)(C)NC(=O)c1cc(Br)nc(Br)c1.
What is the InChIKey of 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is HDWGXNCSMZCJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-4-11(2,3)15-10(16)7-5-8(12)14-9(13)6-7/h5-6H,4H2,1-3H3,(H,15,16).
What are the key properties of 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide?
2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 350.05 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-methylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 140870096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).