2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide

C15H25N3O3 — CID 82143309

IUPAC2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccn(CCCCN)c1=O
InChIInChI=1S/C15H25N3O3/c1-3-17(4-2)14(19)12-21-13-8-7-11-18(15(13)20)10-6-5-9-16/h7-8,11H,3-6,9-10,12,16H2,1-2H3
InChIKeyVAQSICPUHUPDKK-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.83
Rot. Bonds9

About 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide

2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide (PubChem CID 82143309) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
PubChem CID82143309
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccn(CCCCN)c1=O
InChIInChI=1S/C15H25N3O3/c1-3-17(4-2)14(19)12-21-13-8-7-11-18(15(13)20)10-6-5-9-16/h7-8,11H,3-6,9-10,12,16H2,1-2H3
InChIKeyVAQSICPUHUPDKK-UHFFFAOYSA-N
XLogP0.83
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide 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-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 82151935
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The IUPAC name of 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide (CID 82143309) is 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccn(CCCCN)c1=O.
What is the InChIKey of 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The InChIKey is VAQSICPUHUPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-17(4-2)14(19)12-21-13-8-7-11-18(15(13)20)10-6-5-9-16/h7-8,11H,3-6,9-10,12,16H2,1-2H3.
What are the key properties of 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide has a molecular weight of 295.38 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide is sourced from PubChem (CID 82143309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).