4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile

C16H16N2O — CID 103174716

IUPAC4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
SMILESCCc1nc(C)ccc1Oc1ccc(C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-4-15-16(8-5-12(3)18-15)19-14-7-6-13(10-17)11(2)9-14/h5-9H,4H2,1-3H3
InChIKeyYKJUHXAVSFGCNK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.92
Rot. Bonds3

About 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile (PubChem CID 103174716) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
PubChem CID103174716
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
SMILESCCc1nc(C)ccc1Oc1ccc(C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-4-15-16(8-5-12(3)18-15)19-14-7-6-13(10-17)11(2)9-14/h5-9H,4H2,1-3H3
InChIKeyYKJUHXAVSFGCNK-UHFFFAOYSA-N
XLogP3.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile 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-(Pyridin-3-yloxy)benzonitrile
CID 43137984
6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-2-methylpyridine-3-carbonitrile
CID 68506719
4-Pyridin-3-yloxybenzene-1,2-dicarbonitrile
CID 882273
4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983
2-Methyl-6-(3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl)pyridine
CID 11265885
2-(3-(4-Isopropylphenoxy)prop-1-ynyl)-6-methylpyridine
CID 11323067
1-(Cyclopropylmethyl)-4-[4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70685767
1-Butyl-4-[4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70689928
4-[4-[(2,6-Dimethyl-3-pyridinyl)oxy]phenyl]-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 70689929
3-Methoxy-5-[2-(6-methyl-2-pyridinyl)ethynyl]benzonitrile
CID 70695480
2-[(4-Methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine
CID 71604703
6-[[3-(1-Hydroxyhexyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 21280543

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile?
The IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile (CID 103174716) is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile.
What is the SMILES notation for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile?
The canonical SMILES for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile is CCc1nc(C)ccc1Oc1ccc(C#N)c(C)c1.
What is the InChIKey of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile?
The InChIKey is YKJUHXAVSFGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-4-15-16(8-5-12(3)18-15)19-14-7-6-13(10-17)11(2)9-14/h5-9H,4H2,1-3H3.
What are the key properties of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile?
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile is sourced from PubChem (CID 103174716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).