2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine

C26H39NO2 — CID 66993793

IUPAC2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine
SMILESCCCC(CCC)(OCC)c1cnc(-c2c(CC)cccc2CC)cc1OCC
InChIInChI=1S/C26H39NO2/c1-7-16-26(17-8-2,29-12-6)22-19-27-23(18-24(22)28-11-5)25-20(9-3)14-13-15-21(25)10-4/h13-15,18-19H,7-12,16-17H2,1-6H3
InChIKeyQDBFBTCZUHYPSH-UHFFFAOYSA-N
MW397.60 g/mol
LogP7.10
Rot. Bonds12

About 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine

2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine (PubChem CID 66993793) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine
PubChem CID66993793
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine
SMILESCCCC(CCC)(OCC)c1cnc(-c2c(CC)cccc2CC)cc1OCC
InChIInChI=1S/C26H39NO2/c1-7-16-26(17-8-2,29-12-6)22-19-27-23(18-24(22)28-11-5)25-20(9-3)14-13-15-21(25)10-4/h13-15,18-19H,7-12,16-17H2,1-6H3
InChIKeyQDBFBTCZUHYPSH-UHFFFAOYSA-N
XLogP7.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine 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

[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methanol
CID 66994306
(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine
CID 66994293
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine
CID 66994957
[6-(2,6-diethylphenyl)-4-methylsulfanyl-3-pyridinyl]methanol
CID 66994585
4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine
CID 66994228
5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994791
2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine
CID 66995241
2-(2,6-diethylphenyl)-5-(1-ethoxybutyl)-4-[(Z)-2-(methoxymethyl)pent-1-enyl]pyridine
CID 66994184
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159
6-(2,6-diethylphenyl)-3-[(3,5-dimethyl-2H-pyridin-1-yl)methyl]-4-ethoxy-2-methylpyridine
CID 67291713
1-[[6-(2,6-diethylphenyl)-4-ethoxy-2-methyl-3-pyridinyl]methyl]-2,3-dihydroindole
CID 67291825

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine (CID 66993793) is 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine is CCCC(CCC)(OCC)c1cnc(-c2c(CC)cccc2CC)cc1OCC.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine?
The InChIKey is QDBFBTCZUHYPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2/c1-7-16-26(17-8-2,29-12-6)22-19-27-23(18-24(22)28-11-5)25-20(9-3)14-13-15-21(25)10-4/h13-15,18-19H,7-12,16-17H2,1-6H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine?
2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine has a molecular weight of 397.60 g/mol, XLogP of 7.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-ethoxy-5-(4-ethoxyheptan-4-yl)pyridine is sourced from PubChem (CID 66993793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).