2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile

C14H19N3O — CID 60658562

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C14H19N3O/c1-9-5-10(2)16-14(13(9)6-15)17-7-11(3)18-12(4)8-17/h5,11-12H,7-8H2,1-4H3
InChIKeyHWADMAUYYNLHRR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds1

About 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 60658562) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID60658562
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C14H19N3O/c1-9-5-10(2)16-14(13(9)6-15)17-7-11(3)18-12(4)8-17/h5,11-12H,7-8H2,1-4H3
InChIKeyHWADMAUYYNLHRR-UHFFFAOYSA-N
XLogP2.18
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 60658562) is 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CC(C)OC(C)C2)n1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HWADMAUYYNLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-10(2)16-14(13(9)6-15)17-7-11(3)18-12(4)8-17/h5,11-12H,7-8H2,1-4H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 60658562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).