6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide

C11H15BrN2O2 — CID 115968711

IUPAC6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,5-6-15)14-10(16)8-3-4-9(12)13-7-8/h3-4,7,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyTWAZDHWFFZDYOK-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.73
Rot. Bonds4

About 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide

6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 115968711) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID115968711
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(CCO)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,5-6-15)14-10(16)8-3-4-9(12)13-7-8/h3-4,7,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyTWAZDHWFFZDYOK-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-bromopyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 66463637
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 63980448
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
4-(2-amino-2-oxoethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115869881
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
4-(carbamoylamino)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115969000
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
2,6-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115969021

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide (CID 115968711) is 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide is CC(C)(CCO)NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is TWAZDHWFFZDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,5-6-15)14-10(16)8-3-4-9(12)13-7-8/h3-4,7,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115968711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).