3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide

C11H15BrN2O2 — CID 107519206

IUPAC3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-11(2,7-15)6-14-10(16)9-8(12)4-3-5-13-9/h3-5,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyZTHXHYPRMBWIFQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.59
Rot. Bonds4

About 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide

3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide (PubChem CID 107519206) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
PubChem CID107519206
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-11(2,7-15)6-14-10(16)9-8(12)4-3-5-13-9/h3-5,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyZTHXHYPRMBWIFQ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-[(3-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107517143
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide (CID 107519206) is 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide is CC(C)(CO)CNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide?
The InChIKey is ZTHXHYPRMBWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,7-15)6-14-10(16)9-8(12)4-3-5-13-9/h3-5,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide?
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).