4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C25H27FN2O3 — CID 53317524

IUPAC4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCCc2ccc(F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H27FN2O3/c26-21-5-3-20(4-6-21)12-17-30-24-11-15-28(25(29)19-24)22-7-9-23(10-8-22)31-18-16-27-13-1-2-14-27/h3-11,15,19H,1-2,12-14,16-18H2
InChIKeyCEJXFLYUJFNBHN-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.07
Rot. Bonds9

About 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 53317524) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID53317524
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCCc2ccc(F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C25H27FN2O3/c26-21-5-3-20(4-6-21)12-17-30-24-11-15-28(25(29)19-24)22-7-9-23(10-8-22)31-18-16-27-13-1-2-14-27/h3-11,15,19H,1-2,12-14,16-18H2
InChIKeyCEJXFLYUJFNBHN-UHFFFAOYSA-N
XLogP4.07
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 53317524) is 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCCc2ccc(F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is CEJXFLYUJFNBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c26-21-5-3-20(4-6-21)12-17-30-24-11-15-28(25(29)19-24)22-7-9-23(10-8-22)31-18-16-27-13-1-2-14-27/h3-11,15,19H,1-2,12-14,16-18H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 422.50 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 53317524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).