4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one

C25H29FN2O2 — CID 45487309

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
SMILESCCCN(C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C25H29FN2O2/c1-3-14-27(2)18-21-6-4-20(5-7-21)12-15-28-16-13-24(17-25(28)29)30-19-22-8-10-23(26)11-9-22/h4-11,13,16-17H,3,12,14-15,18-19H2,1-2H3
InChIKeyOCWYCPGJMYIAHR-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.65
Rot. Bonds10

About 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one (PubChem CID 45487309) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
PubChem CID45487309
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
SMILESCCCN(C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C25H29FN2O2/c1-3-14-27(2)18-21-6-4-20(5-7-21)12-15-28-16-13-24(17-25(28)29)30-19-22-8-10-23(26)11-9-22/h4-11,13,16-17H,3,12,14-15,18-19H2,1-2H3
InChIKeyOCWYCPGJMYIAHR-UHFFFAOYSA-N
XLogP4.65
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.65
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-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one (CID 45487309) is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one is CCCN(C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The InChIKey is OCWYCPGJMYIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-3-14-27(2)18-21-6-4-20(5-7-21)12-15-28-16-13-24(17-25(28)29)30-19-22-8-10-23(26)11-9-22/h4-11,13,16-17H,3,12,14-15,18-19H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one has a molecular weight of 408.52 g/mol, XLogP of 4.65, 10 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-[[methyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 45487309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).