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

C14H23N3O3 — CID 82056257

IUPAC2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1cccn(CCCN)c1=O
InChIInChI=1S/C14H23N3O3/c1-2-3-8-16-13(18)11-20-12-6-4-9-17(14(12)19)10-5-7-15/h4,6,9H,2-3,5,7-8,10-11,15H2,1H3,(H,16,18)
InChIKeyNXQDZYYBKAYJEU-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.49
Rot. Bonds9

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

2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide (PubChem CID 82056257) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
PubChem CID82056257
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1cccn(CCCN)c1=O
InChIInChI=1S/C14H23N3O3/c1-2-3-8-16-13(18)11-20-12-6-4-9-17(14(12)19)10-5-7-15/h4,6,9H,2-3,5,7-8,10-11,15H2,1H3,(H,16,18)
InChIKeyNXQDZYYBKAYJEU-UHFFFAOYSA-N
XLogP0.49
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82143796
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
2-[3-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82056308
2-[3-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82055769
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
The IUPAC name of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide (CID 82056257) is 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide.
What is the SMILES notation for 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
The canonical SMILES for 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide is CCCCNC(=O)COc1cccn(CCCN)c1=O.
What is the InChIKey of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
The InChIKey is NXQDZYYBKAYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-8-16-13(18)11-20-12-6-4-9-17(14(12)19)10-5-7-15/h4,6,9H,2-3,5,7-8,10-11,15H2,1H3,(H,16,18).
What are the key properties of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide?
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide has a molecular weight of 281.36 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide is sourced from PubChem (CID 82056257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).