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

C28H35FN2O2 — CID 45487391

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
SMILESCCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)CC(C)C
InChIInChI=1S/C28H35FN2O2/c1-4-15-30(19-22(2)3)20-24-7-5-23(6-8-24)13-16-31-17-14-27(18-28(31)32)33-21-25-9-11-26(29)12-10-25/h5-12,14,17-18,22H,4,13,15-16,19-21H2,1-3H3
InChIKeyJMLRNWMIXJECGB-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.68
Rot. Bonds12

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

4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one (PubChem CID 45487391) has the molecular formula C28H35FN2O2 and a molecular weight of 450.60 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
PubChem CID45487391
Molecular FormulaC28H35FN2O2
Molecular Weight450.60 g/mol
Exact Mass450.27
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one
SMILESCCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)CC(C)C
InChIInChI=1S/C28H35FN2O2/c1-4-15-30(19-22(2)3)20-24-7-5-23(6-8-24)13-16-31-17-14-27(18-28(31)32)33-21-25-9-11-26(29)12-10-25/h5-12,14,17-18,22H,4,13,15-16,19-21H2,1-3H3
InChIKeyJMLRNWMIXJECGB-UHFFFAOYSA-N
XLogP5.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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-(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-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one (CID 45487391) is 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one is CCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)CC(C)C.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
The InChIKey is JMLRNWMIXJECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O2/c1-4-15-30(19-22(2)3)20-24-7-5-23(6-8-24)13-16-31-17-14-27(18-28(31)32)33-21-25-9-11-26(29)12-10-25/h5-12,14,17-18,22H,4,13,15-16,19-21H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-[4-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one has a molecular weight of 450.60 g/mol, XLogP of 5.68, 12 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-[[2-methylpropyl(propyl)amino]methyl]phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 45487391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).