2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide

C13H18N2O2 — CID 12025004

IUPAC2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1ccncc1
InChIInChI=1S/C13H18N2O2/c1-3-9-15(10-4-2)13(17)12(16)11-5-7-14-8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYFFZWQALPNDOSM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.91
Rot. Bonds6

About 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide

2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide (PubChem CID 12025004) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide
PubChem CID12025004
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide
SMILESCCCN(CCC)C(=O)C(=O)c1ccncc1
InChIInChI=1S/C13H18N2O2/c1-3-9-15(10-4-2)13(17)12(16)11-5-7-14-8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYFFZWQALPNDOSM-UHFFFAOYSA-N
XLogP1.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
N,N-Diethylnicotinamide
CID 5497
Isonicotinamide
CID 15074
1-Methylnicotinamide
CID 457
4-Acetylpyridine
CID 14282
Acetylisoniazid
CID 71602
Enisamium Iodide
CID 10089466
Piroximone
CID 55263
N-Ethylnicotinamide
CID 78007
Crotoniazide
CID 5369886
(2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5720233

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide?
The IUPAC name of 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide (CID 12025004) is 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide is CCCN(CCC)C(=O)C(=O)c1ccncc1.
What is the InChIKey of 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide?
The InChIKey is YFFZWQALPNDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-9-15(10-4-2)13(17)12(16)11-5-7-14-8-6-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide?
2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 12025004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).