[2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate

C13H10ClN3O3 — CID 2432730

IUPAC[2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18)
InChIKeyJBAYOAGRTKGRMV-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.93
Rot. Bonds4

About [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2432730) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2432730
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18)
InChIKeyJBAYOAGRTKGRMV-UHFFFAOYSA-N
XLogP1.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2378846
[2-(2-Nitroanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 4204137
[2-(Benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338042
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2430490
[2-[2-(2,4-Dichlorophenyl)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 4618368
[2-[4-Chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 24980110
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338174
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2346501
[2-(3-Fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2376741
[2-(5-Chloro-2-cyanoanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2434523
[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634350
Pyrazinic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester
CID 23774933

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate (CID 2432730) is [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is JBAYOAGRTKGRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2432730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).