3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile

C12H15N3O2 — CID 155234769

IUPAC3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
SMILESCN1CCOC(COc2cnccc2C#N)C1
InChIInChI=1S/C12H15N3O2/c1-15-4-5-16-11(8-15)9-17-12-7-14-3-2-10(12)6-13/h2-3,7,11H,4-5,8-9H2,1H3
InChIKeyNCSCSJIQLIIPLK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.66
Rot. Bonds3

About 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile

3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile (PubChem CID 155234769) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
PubChem CID155234769
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
SMILESCN1CCOC(COc2cnccc2C#N)C1
InChIInChI=1S/C12H15N3O2/c1-15-4-5-16-11(8-15)9-17-12-7-14-3-2-10(12)6-13/h2-3,7,11H,4-5,8-9H2,1H3
InChIKeyNCSCSJIQLIIPLK-UHFFFAOYSA-N
XLogP0.66
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
CID 70907046
3-[(5,5-dimethyl-1,4-dioxan-2-yl)methoxy]pyridine-4-carbonitrile
CID 155234721
2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
CID 79171247
3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126954496
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile
CID 156870077
4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 107656463
(3S)-3-[(4-cyano-3-pyridinyl)oxymethyl]morpholine-4-carboxylic acid
CID 166773309
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile (CID 155234769) is 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile is CN1CCOC(COc2cnccc2C#N)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile?
The InChIKey is NCSCSJIQLIIPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-4-5-16-11(8-15)9-17-12-7-14-3-2-10(12)6-13/h2-3,7,11H,4-5,8-9H2,1H3.
What are the key properties of 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile?
3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 155234769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).