6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile

C15H20N2O — CID 43128070

IUPAC6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile
SMILESCC1CC(Oc2ccc(C#N)cn2)CC(C)(C)C1
InChIInChI=1S/C15H20N2O/c1-11-6-13(8-15(2,3)7-11)18-14-5-4-12(9-16)10-17-14/h4-5,10-11,13H,6-8H2,1-3H3
InChIKeyVAWSSAJWDJOEFO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.55
Rot. Bonds2

About 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile

6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile (PubChem CID 43128070) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile
PubChem CID43128070
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile
SMILESCC1CC(Oc2ccc(C#N)cn2)CC(C)(C)C1
InChIInChI=1S/C15H20N2O/c1-11-6-13(8-15(2,3)7-11)18-14-5-4-12(9-16)10-17-14/h4-5,10-11,13H,6-8H2,1-3H3
InChIKeyVAWSSAJWDJOEFO-UHFFFAOYSA-N
XLogP3.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile?
The IUPAC name of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile (CID 43128070) is 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile?
The canonical SMILES for 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile is CC1CC(Oc2ccc(C#N)cn2)CC(C)(C)C1.
What is the InChIKey of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile?
The InChIKey is VAWSSAJWDJOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-13(8-15(2,3)7-11)18-14-5-4-12(9-16)10-17-14/h4-5,10-11,13H,6-8H2,1-3H3.
What are the key properties of 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile?
6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 43128070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).