2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide

C12H17BrN2O3 — CID 64558178

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCCC(C)(CO)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O3/c1-3-12(2,8-16)14-10(17)7-15-6-9(13)4-5-11(15)18/h4-6,16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeyYZCMFCXYBBRUIJ-UHFFFAOYSA-N
MW317.18 g/mol
LogP0.89
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 64558178) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID64558178
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCCC(C)(CO)NC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H17BrN2O3/c1-3-12(2,8-16)14-10(17)7-15-6-9(13)4-5-11(15)18/h4-6,16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeyYZCMFCXYBBRUIJ-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
CID 79792760
(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-(5-amino-2-oxo-1-pyridinyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62815327
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
CID 79194945
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764818
(2R)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750807
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 26217251
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide (CID 64558178) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide is CCC(C)(CO)NC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is YZCMFCXYBBRUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-3-12(2,8-16)14-10(17)7-15-6-9(13)4-5-11(15)18/h4-6,16H,3,7-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 317.18 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 64558178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).