4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile

C13H18N2O — CID 61177837

IUPAC4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile
SMILESCCC(C)(C)Oc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H18N2O/c1-6-13(4,5)16-12-11(8-14)9(2)7-10(3)15-12/h7H,6H2,1-5H3
InChIKeyALJAMSDIGYXHHV-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.14
Rot. Bonds3

About 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile

4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile (PubChem CID 61177837) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile
PubChem CID61177837
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile
SMILESCCC(C)(C)Oc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H18N2O/c1-6-13(4,5)16-12-11(8-14)9(2)7-10(3)15-12/h7H,6H2,1-5H3
InChIKeyALJAMSDIGYXHHV-UHFFFAOYSA-N
XLogP3.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile (CID 61177837) is 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile is CCC(C)(C)Oc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile?
The InChIKey is ALJAMSDIGYXHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-6-13(4,5)16-12-11(8-14)9(2)7-10(3)15-12/h7H,6H2,1-5H3.
What are the key properties of 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylbutan-2-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 61177837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).