4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide

C12H12N2O3 — CID 54036682

IUPAC4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide
SMILESCC(=O)C(=CC(=O)NCC=O)c1ccccn1
InChIInChI=1S/C12H12N2O3/c1-9(16)10(8-12(17)14-6-7-15)11-4-2-3-5-13-11/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyKUAZBYRJYOKVEH-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.37
Rot. Bonds5

About 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide

4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide (PubChem CID 54036682) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide.

Molecular Properties

Compound Name4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide
PubChem CID54036682
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide
SMILESCC(=O)C(=CC(=O)NCC=O)c1ccccn1
InChIInChI=1S/C12H12N2O3/c1-9(16)10(8-12(17)14-6-7-15)11-4-2-3-5-13-11/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyKUAZBYRJYOKVEH-UHFFFAOYSA-N
XLogP0.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-N-(2-oxoethyl)-3-pyridin-2-ylprop-2-enamide
CID 173273862
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
CID 67850877
3-[(E)-3-oxo-2-pyridin-2-ylbut-1-enyl]benzonitrile
CID 67851267
(Z)-N-(2-oxoethyl)-2-pyridin-2-yl-3-quinolin-2-ylpent-2-enamide
CID 173285530
2-pyridin-2-yl-N-(pyrrolidin-1-ylmethyl)-4-sulfanylidenepent-2-enamide
CID 54542448
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide?
The IUPAC name of 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide (CID 54036682) is 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide.
What is the SMILES notation for 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide?
The canonical SMILES for 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide is CC(=O)C(=CC(=O)NCC=O)c1ccccn1.
What is the InChIKey of 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide?
The InChIKey is KUAZBYRJYOKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-9(16)10(8-12(17)14-6-7-15)11-4-2-3-5-13-11/h2-5,7-8H,6H2,1H3,(H,14,17).
What are the key properties of 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide?
4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide has a molecular weight of 232.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide is sourced from PubChem (CID 54036682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).