5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid

C23H25FN2O5 — CID 174599925

IUPAC5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid
SMILESCCC(C(=O)NC(CC(=O)O)C(=O)CF)c1c(C)ccn(C=Cc2ccccc2)c1=O
InChIInChI=1S/C23H25FN2O5/c1-3-17(22(30)25-18(13-20(28)29)19(27)14-24)21-15(2)9-11-26(23(21)31)12-10-16-7-5-4-6-8-16/h4-12,17-18H,3,13-14H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyVZWXHCBUSMGRFL-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.78
Rot. Bonds10

About 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid

5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid (PubChem CID 174599925) has the molecular formula C23H25FN2O5 and a molecular weight of 428.46 g/mol. Its IUPAC name is 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid
PubChem CID174599925
Molecular FormulaC23H25FN2O5
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid
SMILESCCC(C(=O)NC(CC(=O)O)C(=O)CF)c1c(C)ccn(C=Cc2ccccc2)c1=O
InChIInChI=1S/C23H25FN2O5/c1-3-17(22(30)25-18(13-20(28)29)19(27)14-24)21-15(2)9-11-26(23(21)31)12-10-16-7-5-4-6-8-16/h4-12,17-18H,3,13-14H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyVZWXHCBUSMGRFL-UHFFFAOYSA-N
XLogP2.78
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide
CID 143668358
tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate
CID 86636498
3-[2-(3-benzamido-2-oxo-1-pyridinyl)butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 72958408
5-fluoro-4-oxo-3-[[(2R)-2-[2-oxo-3-[(2-phenylacetyl)amino]-1-pyridinyl]butanoyl]amino]pentanoic acid
CID 135830884
(3S)-5-fluoro-4-oxo-3-[2-[2-oxo-3-[(2-phenylacetyl)amino]-1-pyridinyl]butanoylamino]pentanoic acid
CID 87113510
(3R)-3-[[(2S)-2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 87115188
3-[[(2S)-2-[3-(ethylsulfonylamino)-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 11583861
4-[2-(2-benzyl-5-methyl-3-oxopyridazin-4-yl)hexanoylamino]-6-fluoro-2-methyl-5-oxohexanoic acid
CID 143620687
3-[2-[2-[(3-tert-butylphenyl)methyl]-3-oxopyridazin-4-yl]butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 24763135
3-[2-(6-benzyl-2-oxo-1H-pyridin-3-yl)pentanoylamino]-5-fluoro-4-oxopentanoic acid
CID 87601539
2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid
CID 68535624
5-fluoro-3-[[(2S)-3-methyl-2-[2-oxo-3-(propanoylamino)-1-pyridinyl]butanoyl]amino]-4-oxopentanoic acid
CID 11749857

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid (CID 174599925) is 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid is CCC(C(=O)NC(CC(=O)O)C(=O)CF)c1c(C)ccn(C=Cc2ccccc2)c1=O.
What is the InChIKey of 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid?
The InChIKey is VZWXHCBUSMGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5/c1-3-17(22(30)25-18(13-20(28)29)19(27)14-24)21-15(2)9-11-26(23(21)31)12-10-16-7-5-4-6-8-16/h4-12,17-18H,3,13-14H2,1-2H3,(H,25,30)(H,28,29).
What are the key properties of 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid?
5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid has a molecular weight of 428.46 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid is sourced from PubChem (CID 174599925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).