4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile

C16H17N3O — CID 103174694

IUPAC4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCc1nc(C)ccc1Oc1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H17N3O/c1-5-14-15(7-6-10(2)19-14)20-16-8-11(3)18-12(4)13(16)9-17/h6-8H,5H2,1-4H3
InChIKeyOXQRXDGTZWUUHU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.63
Rot. Bonds3

About 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 103174694) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID103174694
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCCc1nc(C)ccc1Oc1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H17N3O/c1-5-14-15(7-6-10(2)19-14)20-16-8-11(3)18-12(4)13(16)9-17/h6-8H,5H2,1-4H3
InChIKeyOXQRXDGTZWUUHU-UHFFFAOYSA-N
XLogP3.63
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983
3,6-Dimethyl-4-(pentan-3-yloxy)-2-[(2,4,6-trimethylpyridin-3-yl)oxy]pyridine
CID 24768326
3-(3-Pyridinyloxy)-5-(trifluoromethyl)-2-pyridinecarbonitrile
CID 1478722
6-phenyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine
CID 11543031
6-Methyl-2-phenyl-3-(pyridin-2-ylmethoxy)pyridine
CID 145993911
6-[[3-(1-Hydroxyhexyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 21280543
4-(4-Fluorophenyl)-5-((2-methylpyridin-4-yl)methoxy)picolinonitrile
CID 122539686
2-(4-Methoxyphenyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 145992840
4-(4-Fluorophenyl)-5-(2-(pyridin-3-yl)ethoxy)picolinonitrile
CID 122539624
4-(4-Fluorophenyl)-5-(3-((6-methylpyridin-3-yl)oxy)propoxy)picolinonitrile
CID 122539752
C18H22Fno
CID 20092130
C20H22Fno
CID 20092150

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile (CID 103174694) is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile is CCc1nc(C)ccc1Oc1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OXQRXDGTZWUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-5-14-15(7-6-10(2)19-14)20-16-8-11(3)18-12(4)13(16)9-17/h6-8H,5H2,1-4H3.
What are the key properties of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103174694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).