2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile

C13H17N3O2 — CID 102932797

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C13H17N3O2/c1-9-3-11(5-14)4-13(15-9)16-6-10(2)18-12(7-16)8-17/h3-4,10,12,17H,6-8H2,1-2H3
InChIKeyGJQUDJBCBZIISX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.85
Rot. Bonds2

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile (PubChem CID 102932797) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
PubChem CID102932797
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CC(C)OC(CO)C2)n1
InChIInChI=1S/C13H17N3O2/c1-9-3-11(5-14)4-13(15-9)16-6-10(2)18-12(7-16)8-17/h3-4,10,12,17H,6-8H2,1-2H3
InChIKeyGJQUDJBCBZIISX-UHFFFAOYSA-N
XLogP0.85
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-chloro-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933937
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
CID 114276586
[4-(6-amino-2-propylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102939143
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
[4-(6-fluoro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933936
[(2S,6S)-6-methyl-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 100653088
(6-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 102935336
[4-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylmorpholin-2-yl]methanol
CID 107372998
[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
CID 102935345
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile (CID 102932797) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CC(C)OC(CO)C2)n1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
The InChIKey is GJQUDJBCBZIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-3-11(5-14)4-13(15-9)16-6-10(2)18-12(7-16)8-17/h3-4,10,12,17H,6-8H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 102932797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).