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

C13H21N3O3 — CID 82056289

IUPAC2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccn(CCCN)c1=O
InChIInChI=1S/C13H21N3O3/c1-2-7-15-12(17)10-19-11-5-3-8-16(13(11)18)9-4-6-14/h3,5,8H,2,4,6-7,9-10,14H2,1H3,(H,15,17)
InChIKeyNCISHSPXYYWLOX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.10
Rot. Bonds8

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

2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide (PubChem CID 82056289) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
PubChem CID82056289
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1cccn(CCCN)c1=O
InChIInChI=1S/C13H21N3O3/c1-2-7-15-12(17)10-19-11-5-3-8-16(13(11)18)9-4-6-14/h3,5,8H,2,4,6-7,9-10,14H2,1H3,(H,15,17)
InChIKeyNCISHSPXYYWLOX-UHFFFAOYSA-N
XLogP0.10
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82143796
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 82150868
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide?
The IUPAC name of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide (CID 82056289) is 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide?
The canonical SMILES for 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide is CCCNC(=O)COc1cccn(CCCN)c1=O.
What is the InChIKey of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide?
The InChIKey is NCISHSPXYYWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-7-15-12(17)10-19-11-5-3-8-16(13(11)18)9-4-6-14/h3,5,8H,2,4,6-7,9-10,14H2,1H3,(H,15,17).
What are the key properties of 2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide?
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide has a molecular weight of 267.33 g/mol, XLogP of 0.10, 8 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-propylacetamide is sourced from PubChem (CID 82056289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).