2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide

C14H23N3O3 — CID 82143796

IUPAC2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1cccn(C(C)CN)c1=O
InChIInChI=1S/C14H23N3O3/c1-3-4-7-16-13(18)10-20-12-6-5-8-17(14(12)19)11(2)9-15/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3,(H,16,18)
InChIKeyUNEREWCAOMTYFU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.66
Rot. Bonds8

About 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide

2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide (PubChem CID 82143796) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
PubChem CID82143796
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1cccn(C(C)CN)c1=O
InChIInChI=1S/C14H23N3O3/c1-3-4-7-16-13(18)10-20-12-6-5-8-17(14(12)19)11(2)9-15/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3,(H,16,18)
InChIKeyUNEREWCAOMTYFU-UHFFFAOYSA-N
XLogP0.66
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide 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-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
2-[3-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82056308
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[3-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82055769
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
The IUPAC name of 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide (CID 82143796) is 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide.
What is the SMILES notation for 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
The canonical SMILES for 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide is CCCCNC(=O)COc1cccn(C(C)CN)c1=O.
What is the InChIKey of 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
The InChIKey is UNEREWCAOMTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-4-7-16-13(18)10-20-12-6-5-8-17(14(12)19)11(2)9-15/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide has a molecular weight of 281.36 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide is sourced from PubChem (CID 82143796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).