4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile

C12H15N3O — CID 62491625

IUPAC4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2ccnc(C#N)c2)CC(C)O1
InChIInChI=1S/C12H15N3O/c1-9-7-15(8-10(2)16-9)12-3-4-14-11(5-12)6-13/h3-5,9-10H,7-8H2,1-2H3
InChIKeyXUHOKUSOGQBGPL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile

4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile (PubChem CID 62491625) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
PubChem CID62491625
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2ccnc(C#N)c2)CC(C)O1
InChIInChI=1S/C12H15N3O/c1-9-7-15(8-10(2)16-9)12-3-4-14-11(5-12)6-13/h3-5,9-10H,7-8H2,1-2H3
InChIKeyXUHOKUSOGQBGPL-UHFFFAOYSA-N
XLogP1.57
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
CID 61257388
4-(3,3,4-trimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 177218204
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
CID 66196783
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
(3S,4S)-1-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063676
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile (CID 62491625) is 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile is CC1CN(c2ccnc(C#N)c2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile?
The InChIKey is XUHOKUSOGQBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-15(8-10(2)16-9)12-3-4-14-11(5-12)6-13/h3-5,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile?
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 62491625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).