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

C23H23FN2O2 — CID 45487371

IUPAC4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H23FN2O2/c24-20-7-3-19(4-8-20)17-28-22-11-14-26(23(27)15-22)21-9-5-18(6-10-21)16-25-12-1-2-13-25/h3-11,14-15H,1-2,12-13,16-17H2
InChIKeyRXUSHGWGUPCMPA-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.15
Rot. Bonds6

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

4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one (PubChem CID 45487371) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one
PubChem CID45487371
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H23FN2O2/c24-20-7-3-19(4-8-20)17-28-22-11-14-26(23(27)15-22)21-9-5-18(6-10-21)16-25-12-1-2-13-25/h3-11,14-15H,1-2,12-13,16-17H2
InChIKeyRXUSHGWGUPCMPA-UHFFFAOYSA-N
XLogP4.15
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one (CID 45487371) is 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one?
The InChIKey is RXUSHGWGUPCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-7-3-19(4-8-20)17-28-22-11-14-26(23(27)15-22)21-9-5-18(6-10-21)16-25-12-1-2-13-25/h3-11,14-15H,1-2,12-13,16-17H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one has a molecular weight of 378.45 g/mol, XLogP of 4.15, 6 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-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 45487371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).