6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one

C19H25NO2 — CID 82520519

IUPAC6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc(CC)cc2)ccc(CO)c1=O
InChIInChI=1S/C19H25NO2/c1-3-5-6-13-20-18(12-11-17(14-21)19(20)22)16-9-7-15(4-2)8-10-16/h7-12,21H,3-6,13-14H2,1-2H3
InChIKeySMSWRBFEQBSPTA-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.76
Rot. Bonds7

About 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one

6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one (PubChem CID 82520519) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
PubChem CID82520519
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
SMILESCCCCCn1c(-c2ccc(CC)cc2)ccc(CO)c1=O
InChIInChI=1S/C19H25NO2/c1-3-5-6-13-20-18(12-11-17(14-21)19(20)22)16-9-7-15(4-2)8-10-16/h7-12,21H,3-6,13-14H2,1-2H3
InChIKeySMSWRBFEQBSPTA-UHFFFAOYSA-N
XLogP3.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-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

3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
3-(methylaminomethyl)-6-(4-methylphenyl)-1-pentylpyridin-2-one
CID 82520754
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520637
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one?
The IUPAC name of 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one (CID 82520519) is 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one.
What is the SMILES notation for 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one?
The canonical SMILES for 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one is CCCCCn1c(-c2ccc(CC)cc2)ccc(CO)c1=O.
What is the InChIKey of 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one?
The InChIKey is SMSWRBFEQBSPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-5-6-13-20-18(12-11-17(14-21)19(20)22)16-9-7-15(4-2)8-10-16/h7-12,21H,3-6,13-14H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one?
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one is sourced from PubChem (CID 82520519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).