N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide

C13H17BrN2O2 — CID 84559169

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H17BrN2O2/c14-10-7-11(13(18)15-8-10)16-12(17)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,15,18)(H,16,17)
InChIKeyOMRFGXFMBOQKRT-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.05
Rot. Bonds3

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide (PubChem CID 84559169) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide
PubChem CID84559169
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H17BrN2O2/c14-10-7-11(13(18)15-8-10)16-12(17)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,15,18)(H,16,17)
InChIKeyOMRFGXFMBOQKRT-UHFFFAOYSA-N
XLogP3.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941546
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
CID 84558557
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
CID 114457042

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide (CID 84559169) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide?
The InChIKey is OMRFGXFMBOQKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-7-11(13(18)15-8-10)16-12(17)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,15,18)(H,16,17).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide has a molecular weight of 313.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 84559169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).