[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C13H10F2N4O3 — CID 41188121

IUPAC[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H10F2N4O3/c14-7-3-8(15)5-9(4-7)19-10(20)6-22-13(21)11-12(16)18-2-1-17-11/h1-5H,6H2,(H2,16,18)(H,19,20)
InChIKeyILUZSWDRYFPKHP-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.13
Rot. Bonds4

About [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 41188121) has the molecular formula C13H10F2N4O3 and a molecular weight of 308.24 g/mol. Its IUPAC name is [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID41188121
Molecular FormulaC13H10F2N4O3
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H10F2N4O3/c14-7-3-8(15)5-9(4-7)19-10(20)6-22-13(21)11-12(16)18-2-1-17-11/h1-5H,6H2,(H2,16,18)(H,19,20)
InChIKeyILUZSWDRYFPKHP-UHFFFAOYSA-N
XLogP1.13
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-[[2-(3-aminopyrazine-2-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 2684846
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2643782
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469302
[2-(3-nitroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2644053
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2686440
[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2642796
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate
CID 7469228
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469230
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18127503
[2-(4-fluoroanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823440
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41379433
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 41188121) is [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is ILUZSWDRYFPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O3/c14-7-3-8(15)5-9(4-7)19-10(20)6-22-13(21)11-12(16)18-2-1-17-11/h1-5H,6H2,(H2,16,18)(H,19,20).
What are the key properties of [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 308.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 41188121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).