[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate

C23H22N4O4S — CID 42120035

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SMILESCSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1C#N
InChIInChI=1S/C23H22N4O4S/c1-32-22-18(12-24)17(11-19(26-22)14-7-8-14)23(30)31-13-20(28)25-15-4-2-5-16(10-15)27-9-3-6-21(27)29/h2,4-5,10-11,14H,3,6-9,13H2,1H3,(H,25,28)
InChIKeyGTPOOBPOMJGBCI-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.47
Rot. Bonds7

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate (PubChem CID 42120035) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
PubChem CID42120035
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SMILESCSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1C#N
InChIInChI=1S/C23H22N4O4S/c1-32-22-18(12-24)17(11-19(26-22)14-7-8-14)23(30)31-13-20(28)25-15-4-2-5-16(10-15)27-9-3-6-21(27)29/h2,4-5,10-11,14H,3,6-9,13H2,1H3,(H,25,28)
InChIKeyGTPOOBPOMJGBCI-UHFFFAOYSA-N
XLogP3.47
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
CID 42120239
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604753
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-phenoxypyridine-3-carboxylate
CID 36609935
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729283
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998740
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
CID 46661994
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
CID 24567250
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate (CID 42120035) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate is CSc1nc(C2CC2)cc(C(=O)OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1C#N.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
The InChIKey is GTPOOBPOMJGBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-32-22-18(12-24)17(11-19(26-22)14-7-8-14)23(30)31-13-20(28)25-15-4-2-5-16(10-15)27-9-3-6-21(27)29/h2,4-5,10-11,14H,3,6-9,13H2,1H3,(H,25,28).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate has a molecular weight of 450.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate is sourced from PubChem (CID 42120035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).