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

C27H33FN2O2 — CID 45487383

IUPAC1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(CCC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C27H33FN2O2/c1-3-15-29(16-4-2)20-23-7-5-22(6-8-23)13-17-30-18-14-26(19-27(30)31)32-21-24-9-11-25(28)12-10-24/h5-12,14,18-19H,3-4,13,15-17,20-21H2,1-2H3
InChIKeyFSGMZSPXBSPCRE-UHFFFAOYSA-N
MW436.57 g/mol
LogP5.43
Rot. Bonds12

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

1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 45487383) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID45487383
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCCN(CCC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C27H33FN2O2/c1-3-15-29(16-4-2)20-23-7-5-22(6-8-23)13-17-30-18-14-26(19-27(30)31)32-21-24-9-11-25(28)12-10-24/h5-12,14,18-19H,3-4,13,15-17,20-21H2,1-2H3
InChIKeyFSGMZSPXBSPCRE-UHFFFAOYSA-N
XLogP5.43
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.57
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]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 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 45487383) is 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CCCN(CCC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is FSGMZSPXBSPCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-3-15-29(16-4-2)20-23-7-5-22(6-8-23)13-17-30-18-14-26(19-27(30)31)32-21-24-9-11-25(28)12-10-24/h5-12,14,18-19H,3-4,13,15-17,20-21H2,1-2H3.
What are the key properties of 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 436.57 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dipropylamino)methyl]phenyl]ethyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 45487383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).