3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide

C13H19N3O2 — CID 143418820

IUPAC3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
SMILESCCN(CC)C(=O)C(=O)C(N)Cc1cccnc1
InChIInChI=1S/C13H19N3O2/c1-3-16(4-2)13(18)12(17)11(14)8-10-6-5-7-15-9-10/h5-7,9,11H,3-4,8,14H2,1-2H3
InChIKeyWFXGXCKTQVWMLV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.39
Rot. Bonds6

About 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide

3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide (PubChem CID 143418820) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
PubChem CID143418820
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
SMILESCCN(CC)C(=O)C(=O)C(N)Cc1cccnc1
InChIInChI=1S/C13H19N3O2/c1-3-16(4-2)13(18)12(17)11(14)8-10-6-5-7-15-9-10/h5-7,9,11H,3-4,8,14H2,1-2H3
InChIKeyWFXGXCKTQVWMLV-UHFFFAOYSA-N
XLogP0.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide 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

2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 113446917
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
CID 18727468

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide (CID 143418820) is 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide is CCN(CC)C(=O)C(=O)C(N)Cc1cccnc1.
What is the InChIKey of 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is WFXGXCKTQVWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16(4-2)13(18)12(17)11(14)8-10-6-5-7-15-9-10/h5-7,9,11H,3-4,8,14H2,1-2H3.
What are the key properties of 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide?
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 143418820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).