4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one

C25H27FN2O2 — CID 45487372

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C25H27FN2O2/c26-23-9-7-22(8-10-23)19-30-24-12-16-28(25(29)17-24)15-11-20-3-5-21(6-4-20)18-27-13-1-2-14-27/h3-10,12,16-17H,1-2,11,13-15,18-19H2
InChIKeyNJUDJIHEJBJEHC-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.40
Rot. Bonds8

About 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one (PubChem CID 45487372) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one
PubChem CID45487372
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C25H27FN2O2/c26-23-9-7-22(8-10-23)19-30-24-12-16-28(25(29)17-24)15-11-20-3-5-21(6-4-20)18-27-13-1-2-14-27/h3-10,12,16-17H,1-2,11,13-15,18-19H2
InChIKeyNJUDJIHEJBJEHC-UHFFFAOYSA-N
XLogP4.40
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
3-bromo-1-(3-fluorobenzyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 10194381
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-fluorobenzyl)pyridin-2(1H)-one
CID 10216550
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273
1-(4-((cyclopentyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487283
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309
4-(4-fluorobenzyloxy)-1-(4-(((2-methoxyethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487331

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one (CID 45487372) is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
The InChIKey is NJUDJIHEJBJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c26-23-9-7-22(8-10-23)19-30-24-12-16-28(25(29)17-24)15-11-20-3-5-21(6-4-20)18-27-13-1-2-14-27/h3-10,12,16-17H,1-2,11,13-15,18-19H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one has a molecular weight of 406.50 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 45487372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).