2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide

C11H11BrN4O2 — CID 32609841

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cn2cc(Br)ccc2=O)cn1
InChIInChI=1S/C11H11BrN4O2/c1-15-6-9(4-13-15)14-10(17)7-16-5-8(12)2-3-11(16)18/h2-6H,7H2,1H3,(H,14,17)
InChIKeyDKLCFMYNRNRXGI-UHFFFAOYSA-N
MW311.14 g/mol
LogP0.98
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 32609841) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID32609841
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cn2cc(Br)ccc2=O)cn1
InChIInChI=1S/C11H11BrN4O2/c1-15-6-9(4-13-15)14-10(17)7-16-5-8(12)2-3-11(16)18/h2-6H,7H2,1H3,(H,14,17)
InChIKeyDKLCFMYNRNRXGI-UHFFFAOYSA-N
XLogP0.98
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 26217251
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
N-(1-methylpyrazol-4-yl)-2-piperazin-1-ylacetamide
CID 43535278
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951719
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)acetamide
CID 18085754
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63652158
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide (CID 32609841) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)Cn2cc(Br)ccc2=O)cn1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is DKLCFMYNRNRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-15-6-9(4-13-15)14-10(17)7-16-5-8(12)2-3-11(16)18/h2-6H,7H2,1H3,(H,14,17).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 311.14 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 32609841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).