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

C26H30F2N2O2 — CID 45487356

IUPAC1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(CCF)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C26H30F2N2O2/c1-2-14-29(17-13-27)19-22-5-3-21(4-6-22)11-15-30-16-12-25(18-26(30)31)32-20-23-7-9-24(28)10-8-23/h3-10,12,16,18H,2,11,13-15,17,19-20H2,1H3
InChIKeyNFSDJUMTRUEHPP-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.99
Rot. Bonds12

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

1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 45487356) has the molecular formula C26H30F2N2O2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID45487356
Molecular FormulaC26H30F2N2O2
Molecular Weight440.53 g/mol
Exact Mass440.23
IUPAC Name1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(CCF)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C26H30F2N2O2/c1-2-14-29(17-13-27)19-22-5-3-21(4-6-22)11-15-30-16-12-25(18-26(30)31)32-20-23-7-9-24(28)10-8-23/h3-10,12,16,18H,2,11,13-15,17,19-20H2,1H3
InChIKeyNFSDJUMTRUEHPP-UHFFFAOYSA-N
XLogP4.99
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.99
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
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
3-bromo-4-(2,4-difluorobenzyloxy)-1-(3-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050741

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 45487356) is 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CCCN(CCF)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is NFSDJUMTRUEHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O2/c1-2-14-29(17-13-27)19-22-5-3-21(4-6-22)11-15-30-16-12-25(18-26(30)31)32-20-23-7-9-24(28)10-8-23/h3-10,12,16,18H,2,11,13-15,17,19-20H2,1H3.
What are the key properties of 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 440.53 g/mol, XLogP of 4.99, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[2-fluoroethyl(propyl)amino]methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 45487356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).