4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

C19H16F3N3O2 — CID 46911629

IUPAC4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(OCCN3CCCC3=O)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)16-11-13(14-5-6-24-15(10-14)12-23)3-4-17(16)27-9-8-25-7-1-2-18(25)26/h3-6,10-11H,1-2,7-9H2
InChIKeyJIAUEEAOBWGYCA-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.64
Rot. Bonds5

About 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile

4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (PubChem CID 46911629) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
PubChem CID46911629
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(OCCN3CCCC3=O)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)16-11-13(14-5-6-24-15(10-14)12-23)3-4-17(16)27-9-8-25-7-1-2-18(25)26/h3-6,10-11H,1-2,7-9H2
InChIKeyJIAUEEAOBWGYCA-UHFFFAOYSA-N
XLogP3.64
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile (CID 46911629) is 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(OCCN3CCCC3=O)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
The InChIKey is JIAUEEAOBWGYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)16-11-13(14-5-6-24-15(10-14)12-23)3-4-17(16)27-9-8-25-7-1-2-18(25)26/h3-6,10-11H,1-2,7-9H2.
What are the key properties of 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile?
4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile has a molecular weight of 375.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 46911629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).