4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

C24H25FN2O3 — CID 45487326

IUPAC4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C24H25FN2O3/c25-20-8-6-19(7-9-20)18-30-23-10-13-27(24(28)17-23)21-4-3-5-22(16-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
InChIKeyYAXYIJYIERUQSL-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.03
Rot. Bonds8

About 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (PubChem CID 45487326) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
PubChem CID45487326
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C24H25FN2O3/c25-20-8-6-19(7-9-20)18-30-23-10-13-27(24(28)17-23)21-4-3-5-22(16-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
InChIKeyYAXYIJYIERUQSL-UHFFFAOYSA-N
XLogP4.03
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one (CID 45487326) is 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1-c1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
The InChIKey is YAXYIJYIERUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c25-20-8-6-19(7-9-20)18-30-23-10-13-27(24(28)17-23)21-4-3-5-22(16-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one has a molecular weight of 408.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 45487326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).