5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride

C22H40ClNO2 — CID 70391888

IUPAC5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride
SMILESCCCCCCCCCCCCCCCC(C)c1c[nH]c(=O)cc1O.Cl
InChIInChI=1S/C22H39NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20-18-23-22(25)17-21(20)24;/h17-19H,3-16H2,1-2H3,(H2,23,24,25);1H
InChIKeyWVYVTUKWAPLFTJ-UHFFFAOYSA-N
MW386.02 g/mol
LogP7.09
Rot. Bonds15

About 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride

5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride (PubChem CID 70391888) has the molecular formula C22H40ClNO2 and a molecular weight of 386.02 g/mol. Its IUPAC name is 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride
PubChem CID70391888
Molecular FormulaC22H40ClNO2
Molecular Weight386.02 g/mol
Exact Mass385.27
IUPAC Name5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride
SMILESCCCCCCCCCCCCCCCC(C)c1c[nH]c(=O)cc1O.Cl
InChIInChI=1S/C22H39NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20-18-23-22(25)17-21(20)24;/h17-19H,3-16H2,1-2H3,(H2,23,24,25);1H
InChIKeyWVYVTUKWAPLFTJ-UHFFFAOYSA-N
XLogP7.09
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.02
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride 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

4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
ethyl 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate
CID 175086104
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
potassium 5-heptan-2-yl-4-hydroxy-2-methylbenzoate
CID 175708073
3-fluoro-5-octan-2-yl-1H-pyridin-4-one
CID 146507315
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
CID 22256255
2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872

Frequently Asked Questions

What is the IUPAC name of 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride (CID 70391888) is 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride is CCCCCCCCCCCCCCCC(C)c1c[nH]c(=O)cc1O.Cl.
What is the InChIKey of 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride?
The InChIKey is WVYVTUKWAPLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20-18-23-22(25)17-21(20)24;/h17-19H,3-16H2,1-2H3,(H2,23,24,25);1H.
What are the key properties of 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride?
5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride has a molecular weight of 386.02 g/mol, XLogP of 7.09, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 70391888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).