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

C25H29FN2O2 — CID 45487382

IUPAC1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C25H29FN2O2/c1-3-27(4-2)18-21-7-5-20(6-8-21)13-15-28-16-14-24(17-25(28)29)30-19-22-9-11-23(26)12-10-22/h5-12,14,16-17H,3-4,13,15,18-19H2,1-2H3
InChIKeyPKIADIKSNMXZIA-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.65
Rot. Bonds10

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

1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 45487382) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID45487382
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C25H29FN2O2/c1-3-27(4-2)18-21-7-5-20(6-8-21)13-15-28-16-14-24(17-25(28)29)30-19-22-9-11-23(26)12-10-22/h5-12,14,16-17H,3-4,13,15,18-19H2,1-2H3
InChIKeyPKIADIKSNMXZIA-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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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71731806
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-(3-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11155124
1-(4-(aminomethyl)benzyl)-3-bromo-4-(2,4-difluorobenzyloxy)-6-methylpyridin-2(1H)-one
CID 11178413
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzonitrile
CID 11270757
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzonitrile
CID 11442171
4-((3-chloro-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050379
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050449
3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 45487382) is 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CCN(CC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is PKIADIKSNMXZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-3-27(4-2)18-21-7-5-20(6-8-21)13-15-28-16-14-24(17-25(28)29)30-19-22-9-11-23(26)12-10-22/h5-12,14,16-17H,3-4,13,15,18-19H2,1-2H3.
What are the key properties of 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]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 1-[2-[4-(diethylaminomethyl)phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 45487382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).