2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile

C14H13N3O — CID 103174665

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
SMILESCCc1nc(C)ccc1Oc1ncccc1C#N
InChIInChI=1S/C14H13N3O/c1-3-12-13(7-6-10(2)17-12)18-14-11(9-15)5-4-8-16-14/h4-8H,3H2,1-2H3
InChIKeyDONKRSAPERVCGG-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds3

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile (PubChem CID 103174665) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
PubChem CID103174665
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
SMILESCCc1nc(C)ccc1Oc1ncccc1C#N
InChIInChI=1S/C14H13N3O/c1-3-12-13(7-6-10(2)17-12)18-14-11(9-15)5-4-8-16-14/h4-8H,3H2,1-2H3
InChIKeyDONKRSAPERVCGG-UHFFFAOYSA-N
XLogP3.01
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pilavapadin
CID 118419773
2-Phenoxynicotinonitrile
CID 84242
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4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-2-pyridin-4-yl-vinyl)-pyridine
CID 44372347
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile (CID 103174665) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile is CCc1nc(C)ccc1Oc1ncccc1C#N.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile?
The InChIKey is DONKRSAPERVCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-3-12-13(7-6-10(2)17-12)18-14-11(9-15)5-4-8-16-14/h4-8H,3H2,1-2H3.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 103174665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).