2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

C9H11BrN2O2 — CID 63680648

IUPAC2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)CBr)ccc1=O
InChIInChI=1S/C9H11BrN2O2/c1-2-12-6-7(3-4-9(12)14)11-8(13)5-10/h3-4,6H,2,5H2,1H3,(H,11,13)
InChIKeyAYTVZMUMQAGVHP-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.20
Rot. Bonds3

About 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 63680648) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
PubChem CID63680648
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)CBr)ccc1=O
InChIInChI=1S/C9H11BrN2O2/c1-2-12-6-7(3-4-9(12)14)11-8(13)5-10/h3-4,6H,2,5H2,1H3,(H,11,13)
InChIKeyAYTVZMUMQAGVHP-UHFFFAOYSA-N
XLogP1.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
2-(2,6-dichlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 47048969
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169258
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
2-(2,5-dioxoimidazolidin-4-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 47352820

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (CID 63680648) is 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is CCn1cc(NC(=O)CBr)ccc1=O.
What is the InChIKey of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is AYTVZMUMQAGVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-12-6-7(3-4-9(12)14)11-8(13)5-10/h3-4,6H,2,5H2,1H3,(H,11,13).
What are the key properties of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 259.10 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 63680648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).