3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

C10H13BrN2O2 — CID 131049000

IUPAC3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-10(2,15)6-13-9(14)7-3-4-12-5-8(7)11/h3-5,15H,6H2,1-2H3,(H,13,14)
InChIKeyKHWACKXTKUYKIZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.34
Rot. Bonds3

About 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 131049000) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID131049000
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-10(2,15)6-13-9(14)7-3-4-12-5-8(7)11/h3-5,15H,6H2,1-2H3,(H,13,14)
InChIKeyKHWACKXTKUYKIZ-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-bromopyridine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533259
N-(2-hydroxy-2-methylpropyl)-3-nitropyridine-4-carboxamide
CID 70098140
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
7-[(3-bromopyridine-4-carbonyl)amino]heptanoic acid
CID 120524022
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 113257057

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (CID 131049000) is 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is CC(C)(O)CNC(=O)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is KHWACKXTKUYKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-10(2,15)6-13-9(14)7-3-4-12-5-8(7)11/h3-5,15H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 131049000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).