2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile

C15H21N3O — CID 81042170

IUPAC2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CC(C)OC(C)(C)C2)c(C#N)c(C)n1
InChIInChI=1S/C15H21N3O/c1-10-6-14(13(7-16)12(3)17-10)18-8-11(2)19-15(4,5)9-18/h6,11H,8-9H2,1-5H3
InChIKeyNNGDWLPCVDAOCU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.57
Rot. Bonds1

About 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile

2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 81042170) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID81042170
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCc1cc(N2CC(C)OC(C)(C)C2)c(C#N)c(C)n1
InChIInChI=1S/C15H21N3O/c1-10-6-14(13(7-16)12(3)17-10)18-8-11(2)19-15(4,5)9-18/h6,11H,8-9H2,1-5H3
InChIKeyNNGDWLPCVDAOCU-UHFFFAOYSA-N
XLogP2.57
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile (CID 81042170) is 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile is Cc1cc(N2CC(C)OC(C)(C)C2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is NNGDWLPCVDAOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-14(13(7-16)12(3)17-10)18-8-11(2)19-15(4,5)9-18/h6,11H,8-9H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile?
2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 81042170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).