3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one

C14H23NO3 — CID 82525632

IUPAC3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
SMILESCOCCCn1c(C)cc(C)c(C(C)(C)O)c1=O
InChIInChI=1S/C14H23NO3/c1-10-9-11(2)15(7-6-8-18-5)13(16)12(10)14(3,4)17/h9,17H,6-8H2,1-5H3
InChIKeyPMCBAZTWQVGEQG-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.73
Rot. Bonds5

About 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one

3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one (PubChem CID 82525632) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
PubChem CID82525632
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
SMILESCOCCCn1c(C)cc(C)c(C(C)(C)O)c1=O
InChIInChI=1S/C14H23NO3/c1-10-9-11(2)15(7-6-8-18-5)13(16)12(10)14(3,4)17/h9,17H,6-8H2,1-5H3
InChIKeyPMCBAZTWQVGEQG-UHFFFAOYSA-N
XLogP1.73
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-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-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525650
3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82525616
6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
CID 23338585
1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82525680
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 102564849
[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203146
1-(2-methoxyethyl)-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
CID 82525678
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
CID 82523464
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one (CID 82525632) is 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one is COCCCn1c(C)cc(C)c(C(C)(C)O)c1=O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
The InChIKey is PMCBAZTWQVGEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-9-11(2)15(7-6-8-18-5)13(16)12(10)14(3,4)17/h9,17H,6-8H2,1-5H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one has a molecular weight of 253.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).