3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile

C14H18N2O — CID 113269473

IUPAC3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile
SMILESCC1CC(C)CC(Oc2cnccc2C#N)C1
InChIInChI=1S/C14H18N2O/c1-10-5-11(2)7-13(6-10)17-14-9-16-4-3-12(14)8-15/h3-4,9-11,13H,5-7H2,1-2H3
InChIKeyUUPCDHSXQMWKER-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds2

About 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile

3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile (PubChem CID 113269473) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile
PubChem CID113269473
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile
SMILESCC1CC(C)CC(Oc2cnccc2C#N)C1
InChIInChI=1S/C14H18N2O/c1-10-5-11(2)7-13(6-10)17-14-9-16-4-3-12(14)8-15/h3-4,9-11,13H,5-7H2,1-2H3
InChIKeyUUPCDHSXQMWKER-UHFFFAOYSA-N
XLogP3.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile (CID 113269473) is 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile is CC1CC(C)CC(Oc2cnccc2C#N)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile?
The InChIKey is UUPCDHSXQMWKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-11(2)7-13(6-10)17-14-9-16-4-3-12(14)8-15/h3-4,9-11,13H,5-7H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile?
3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 113269473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).