3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate

C23H20F2N2O4 — CID 143854875

IUPAC3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate
SMILESCC(=O)OCCCc1ccc(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)cc1
InChIInChI=1S/C23H20F2N2O4/c1-14(28)31-12-2-3-15-4-7-17(8-5-15)27-21(29)11-10-19(23(27)26)22(30)18-9-6-16(24)13-20(18)25/h4-11,13H,2-3,12,26H2,1H3
InChIKeyOXWVIGLPWARMGI-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.42
Rot. Bonds7

About 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate

3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate (PubChem CID 143854875) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate.

Molecular Properties

Compound Name3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate
PubChem CID143854875
Molecular FormulaC23H20F2N2O4
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC Name3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate
SMILESCC(=O)OCCCc1ccc(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)cc1
InChIInChI=1S/C23H20F2N2O4/c1-14(28)31-12-2-3-15-4-7-17(8-5-15)27-21(29)11-10-19(23(27)26)22(30)18-9-6-16(24)13-20(18)25/h4-11,13H,2-3,12,26H2,1H3
InChIKeyOXWVIGLPWARMGI-UHFFFAOYSA-N
XLogP3.42
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethyl acetate
CID 58138996
6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
CID 143854829
acetaldehyde;6-amino-5-(5-amino-2,4-difluorobenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one;methane
CID 143854868
2-[3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]propylamino]-2-methylpropanoic acid
CID 66922904
2-amino-4-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]butanoic acid
CID 68927832
(2S)-2-amino-4-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]butanoic acid
CID 24797749
6-amino-5-(4-fluorobenzoyl)-1-(4-methoxyphenyl)pyridin-2-one
CID 58608709
cyclopentyl (2S)-2-[[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 67445477
(2S)-2-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethylamino]-2-(4-fluorophenyl)acetic acid
CID 42606686
cyclopentyl (2S)-5-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]-2-methylpentanoate
CID 71159889
tert-butyl (2R)-2-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethylamino]-4-methylpentanoate
CID 42605871
[3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]propylamino] 2-phenylacetate
CID 122603410

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate?
The IUPAC name of 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate (CID 143854875) is 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate.
What is the SMILES notation for 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate?
The canonical SMILES for 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate is CC(=O)OCCCc1ccc(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)cc1.
What is the InChIKey of 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate?
The InChIKey is OXWVIGLPWARMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c1-14(28)31-12-2-3-15-4-7-17(8-5-15)27-21(29)11-10-19(23(27)26)22(30)18-9-6-16(24)13-20(18)25/h4-11,13H,2-3,12,26H2,1H3.
What are the key properties of 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate?
3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate has a molecular weight of 426.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]propyl acetate is sourced from PubChem (CID 143854875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).