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

C24H25FN2O2 — CID 45487375

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H25FN2O2/c25-21-7-3-20(4-8-21)18-29-23-12-16-27(24(28)17-23)15-11-19-5-9-22(10-6-19)26-13-1-2-14-26/h3-10,12,16-17H,1-2,11,13-15,18H2
InChIKeyZXCQUKGPWVJEJZ-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.41
Rot. Bonds7

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

4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one (PubChem CID 45487375) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one
PubChem CID45487375
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H25FN2O2/c25-21-7-3-20(4-8-21)18-29-23-12-16-27(24(28)17-23)15-11-19-5-9-22(10-6-19)26-13-1-2-14-26/h3-10,12,16-17H,1-2,11,13-15,18H2
InChIKeyZXCQUKGPWVJEJZ-UHFFFAOYSA-N
XLogP4.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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1-[4-(Aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
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3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[4-(dimethylamino)-2,6-difluorophenyl]-6-methylpyridin-2-one
CID 22050450
3-Chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
CID 22050760
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CID 22051179
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CID 44481638
1-[1-(1-Methylazetidin-3-yl)-2,3-dihydroindol-5-yl]-4-phenylmethoxypyridin-2-one
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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
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CID 45487372

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one (CID 45487375) is 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one?
The InChIKey is ZXCQUKGPWVJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-21-7-3-20(4-8-21)18-29-23-12-16-27(24(28)17-23)15-11-19-5-9-22(10-6-19)26-13-1-2-14-26/h3-10,12,16-17H,1-2,11,13-15,18H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyridin-2-one has a molecular weight of 392.47 g/mol, XLogP of 4.41, 7 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-ylphenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 45487375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).