1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one

C17H22N2O2 — CID 82056281

IUPAC1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
SMILESNCCCn1cccc(OCCCc2ccccc2)c1=O
InChIInChI=1S/C17H22N2O2/c18-11-6-13-19-12-4-10-16(17(19)20)21-14-5-9-15-7-2-1-3-8-15/h1-4,7-8,10,12H,5-6,9,11,13-14,18H2
InChIKeyUJGDHQDOTLTUJK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds8

About 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one

1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one (PubChem CID 82056281) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
PubChem CID82056281
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
SMILESNCCCn1cccc(OCCCc2ccccc2)c1=O
InChIInChI=1S/C17H22N2O2/c18-11-6-13-19-12-4-10-16(17(19)20)21-14-5-9-15-7-2-1-3-8-15/h1-4,7-8,10,12H,5-6,9,11,13-14,18H2
InChIKeyUJGDHQDOTLTUJK-UHFFFAOYSA-N
XLogP2.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one 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

1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
CID 82144044
2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
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
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one (CID 82056281) is 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one is NCCCn1cccc(OCCCc2ccccc2)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one?
The InChIKey is UJGDHQDOTLTUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-11-6-13-19-12-4-10-16(17(19)20)21-14-5-9-15-7-2-1-3-8-15/h1-4,7-8,10,12H,5-6,9,11,13-14,18H2.
What are the key properties of 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one?
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one is sourced from PubChem (CID 82056281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).