6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile

C13H17N3O2 — CID 114775825

IUPAC6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
SMILESCC1(C)CNCC(COc2ccc(C#N)cn2)O1
InChIInChI=1S/C13H17N3O2/c1-13(2)9-15-7-11(18-13)8-17-12-4-3-10(5-14)6-16-12/h3-4,6,11,15H,7-9H2,1-2H3
InChIKeyXPYAGEZFFXCKKA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds3

About 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile

6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile (PubChem CID 114775825) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
PubChem CID114775825
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
SMILESCC1(C)CNCC(COc2ccc(C#N)cn2)O1
InChIInChI=1S/C13H17N3O2/c1-13(2)9-15-7-11(18-13)8-17-12-4-3-10(5-14)6-16-12/h3-4,6,11,15H,7-9H2,1-2H3
InChIKeyXPYAGEZFFXCKKA-UHFFFAOYSA-N
XLogP1.10
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
6-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775678
2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
CID 114775746
6-[(5-bromopyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775968
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile
CID 114775428
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114775696
6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775820
7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114775928
6-[(4-chloro-1,3-thiazol-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775902
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752

Frequently Asked Questions

What is the IUPAC name of 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile (CID 114775825) is 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile is CC1(C)CNCC(COc2ccc(C#N)cn2)O1.
What is the InChIKey of 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile?
The InChIKey is XPYAGEZFFXCKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)9-15-7-11(18-13)8-17-12-4-3-10(5-14)6-16-12/h3-4,6,11,15H,7-9H2,1-2H3.
What are the key properties of 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile?
6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 114775825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).