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

C18H24N2O3 — CID 94745771

IUPAC1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
SMILESCc1ccc(OCCOc2cccn(CCCCN)c2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-15-6-8-16(9-7-15)22-13-14-23-17-5-4-12-20(18(17)21)11-3-2-10-19/h4-9,12H,2-3,10-11,13-14,19H2,1H3
InChIKeyOTOADJIUYNYMJQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.35
Rot. Bonds9

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

1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one (PubChem CID 94745771) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
PubChem CID94745771
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
SMILESCc1ccc(OCCOc2cccn(CCCCN)c2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-15-6-8-16(9-7-15)22-13-14-23-17-5-4-12-20(18(17)21)11-3-2-10-19/h4-9,12H,2-3,10-11,13-14,19H2,1H3
InChIKeyOTOADJIUYNYMJQ-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.35
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-(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-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
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
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-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
The IUPAC name of 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one (CID 94745771) is 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one.
What is the SMILES notation for 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
The canonical SMILES for 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one is Cc1ccc(OCCOc2cccn(CCCCN)c2=O)cc1.
What is the InChIKey of 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
The InChIKey is OTOADJIUYNYMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-15-6-8-16(9-7-15)22-13-14-23-17-5-4-12-20(18(17)21)11-3-2-10-19/h4-9,12H,2-3,10-11,13-14,19H2,1H3.
What are the key properties of 1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one?
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.35, 9 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-(4-methylphenoxy)ethoxy]pyridin-2-one is sourced from PubChem (CID 94745771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).