5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide

C11H15BrN2O2 — CID 65111151

IUPAC5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-3-11(2,16)7-14-10(15)8-4-9(12)6-13-5-8/h4-6,16H,3,7H2,1-2H3,(H,14,15)
InChIKeyQURVYIVQEIATDE-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.73
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide

5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide (PubChem CID 65111151) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
PubChem CID65111151
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-3-11(2,16)7-14-10(15)8-4-9(12)6-13-5-8/h4-6,16H,3,7H2,1-2H3,(H,14,15)
InChIKeyQURVYIVQEIATDE-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

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Related Compounds

5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
5-bromo-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]pyridine-3-carboxamide
CID 99873826
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide (CID 65111151) is 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide is CCC(C)(O)CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
The InChIKey is QURVYIVQEIATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-11(2,16)7-14-10(15)8-4-9(12)6-13-5-8/h4-6,16H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide?
5-bromo-N-(2-hydroxy-2-methylbutyl)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 5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 65111151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).