2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile

C17H18N2O2 — CID 72865053

IUPAC2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(OCCc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C17H18N2O2/c1-12-9-13(2)19-17(16(12)11-18)7-8-21-15-6-4-5-14(10-15)20-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKMCMMYPGXWCTDK-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile

2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 72865053) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID72865053
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(OCCc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C17H18N2O2/c1-12-9-13(2)19-17(16(12)11-18)7-8-21-15-6-4-5-14(10-15)20-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyKMCMMYPGXWCTDK-UHFFFAOYSA-N
XLogP3.20
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile 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

2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 62002636
4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
CID 26448932
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
2-(3-methoxyphenoxy)acetonitrile
CID 11041031
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile
CID 19357406
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
2-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 31575908
4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052296
4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 11948795
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile (CID 72865053) is 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile is COc1cccc(OCCc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KMCMMYPGXWCTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-9-13(2)19-17(16(12)11-18)7-8-21-15-6-4-5-14(10-15)20-3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)ethyl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 72865053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).