3-octadecoxypyridine

C23H41NO — CID 175800212

IUPAC3-octadecoxypyridine
SMILESCCCCCCCCCCCCCCCCCCOc1cccnc1
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-23-19-18-20-24-22-23/h18-20,22H,2-17,21H2,1H3
InChIKeyCERFCKICWJTMLX-UHFFFAOYSA-N
MW347.59 g/mol
LogP7.72
Rot. Bonds18

About 3-octadecoxypyridine

3-octadecoxypyridine (PubChem CID 175800212) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 3-octadecoxypyridine.

Molecular Properties

Compound Name3-octadecoxypyridine
PubChem CID175800212
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name3-octadecoxypyridine
SMILESCCCCCCCCCCCCCCCCCCOc1cccnc1
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-23-19-18-20-24-22-23/h18-20,22H,2-17,21H2,1H3
InChIKeyCERFCKICWJTMLX-UHFFFAOYSA-N
XLogP7.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-octadecoxypyridine 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-(4-octoxyphenyl)pyridine
CID 90176946
6-pyridin-3-yloxyhexan-1-amine;hydrochloride
CID 131726699
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
3-(3-phenoxypropoxy)pyridine
CID 86195847
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
pentoxybenzene;undecane
CID 174778179
1-hexyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111835312
3,6-dihexoxy-4,5-dipyridin-3-yloxybenzene-1,2-dicarbonitrile
CID 150582810
1,3-dihexadecoxybenzene
CID 12686834
4-pentoxypyridine
CID 23560340
N-methyl-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 10821654
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 3-octadecoxypyridine?
The IUPAC name of 3-octadecoxypyridine (CID 175800212) is 3-octadecoxypyridine.
What is the SMILES notation for 3-octadecoxypyridine?
The canonical SMILES for 3-octadecoxypyridine is CCCCCCCCCCCCCCCCCCOc1cccnc1.
What is the InChIKey of 3-octadecoxypyridine?
The InChIKey is CERFCKICWJTMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-23-19-18-20-24-22-23/h18-20,22H,2-17,21H2,1H3.
What are the key properties of 3-octadecoxypyridine?
3-octadecoxypyridine has a molecular weight of 347.59 g/mol, XLogP of 7.72, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octadecoxypyridine is sourced from PubChem (CID 175800212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).