1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one

C13H23N3O2 — CID 82143334

IUPAC1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
SMILESCN(C)CCOc1cccn(CCCCN)c1=O
InChIInChI=1S/C13H23N3O2/c1-15(2)10-11-18-12-6-5-9-16(13(12)17)8-4-3-7-14/h5-6,9H,3-4,7-8,10-11,14H2,1-2H3
InChIKeyQWUXCRGLGGJRMJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.53
Rot. Bonds8

About 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one

1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one (PubChem CID 82143334) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
PubChem CID82143334
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
SMILESCN(C)CCOc1cccn(CCCCN)c1=O
InChIInChI=1S/C13H23N3O2/c1-15(2)10-11-18-12-6-5-9-16(13(12)17)8-4-3-7-14/h5-6,9H,3-4,7-8,10-11,14H2,1-2H3
InChIKeyQWUXCRGLGGJRMJ-UHFFFAOYSA-N
XLogP0.53
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150670
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 82151025
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one?
The IUPAC name of 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one (CID 82143334) is 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one.
What is the SMILES notation for 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one?
The canonical SMILES for 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one is CN(C)CCOc1cccn(CCCCN)c1=O.
What is the InChIKey of 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one?
The InChIKey is QWUXCRGLGGJRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15(2)10-11-18-12-6-5-9-16(13(12)17)8-4-3-7-14/h5-6,9H,3-4,7-8,10-11,14H2,1-2H3.
What are the key properties of 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one?
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one is sourced from PubChem (CID 82143334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).