1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one

C17H22N2O3 — CID 82056283

IUPAC1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
SMILESCc1ccc(OCCOc2cccn(CCCN)c2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-14-5-7-15(8-6-14)21-12-13-22-16-4-2-10-19(17(16)20)11-3-9-18/h2,4-8,10H,3,9,11-13,18H2,1H3
InChIKeyAUORZJRVSPSHMS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.96
Rot. Bonds8

About 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one

1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one (PubChem CID 82056283) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
PubChem CID82056283
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
SMILESCc1ccc(OCCOc2cccn(CCCN)c2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-14-5-7-15(8-6-14)21-12-13-22-16-4-2-10-19(17(16)20)11-3-9-18/h2,4-8,10H,3,9,11-13,18H2,1H3
InChIKeyAUORZJRVSPSHMS-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.96
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
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
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
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one (CID 82056283) is 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one is Cc1ccc(OCCOc2cccn(CCCN)c2=O)cc1.
What is the InChIKey of 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
The InChIKey is AUORZJRVSPSHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-14-5-7-15(8-6-14)21-12-13-22-16-4-2-10-19(17(16)20)11-3-9-18/h2,4-8,10H,3,9,11-13,18H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one is sourced from PubChem (CID 82056283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).