5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile

C20H22FN3O2 — CID 122539610

IUPAC5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile
SMILESC[C@@H]1CN(CCOc2cnc(C#N)cc2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C20H22FN3O2/c1-14-12-24(13-15(2)26-14)7-8-25-20-11-23-18(10-22)9-19(20)16-3-5-17(21)6-4-16/h3-6,9,11,14-15H,7-8,12-13H2,1-2H3/t14-,15+
InChIKeyWBGOSRMQARZWJA-GASCZTMLSA-N
MW355.41 g/mol
LogP3.25
Rot. Bonds5

About 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile

5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile (PubChem CID 122539610) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile
PubChem CID122539610
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile
SMILESC[C@@H]1CN(CCOc2cnc(C#N)cc2-c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C20H22FN3O2/c1-14-12-24(13-15(2)26-14)7-8-25-20-11-23-18(10-22)9-19(20)16-3-5-17(21)6-4-16/h3-6,9,11,14-15H,7-8,12-13H2,1-2H3/t14-,15+
InChIKeyWBGOSRMQARZWJA-GASCZTMLSA-N
XLogP3.25
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile (CID 122539610) is 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile is C[C@@H]1CN(CCOc2cnc(C#N)cc2-c2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
The InChIKey is WBGOSRMQARZWJA-GASCZTMLSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-12-24(13-15(2)26-14)7-8-25-20-11-23-18(10-22)9-19(20)16-3-5-17(21)6-4-16/h3-6,9,11,14-15H,7-8,12-13H2,1-2H3/t14-,15+.
What are the key properties of 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile?
5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile has a molecular weight of 355.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-4-(4-fluorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 122539610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).