diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate

C17H17N3O5 — CID 1246158

IUPACdiethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cnccn2)cc(C(=O)OCC)c1
InChIInChI=1S/C17H17N3O5/c1-3-24-16(22)11-7-12(17(23)25-4-2)9-13(8-11)20-15(21)14-10-18-5-6-19-14/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyOKPXXHIILXDGLS-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.08
Rot. Bonds6

About diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate

diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate (PubChem CID 1246158) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate
PubChem CID1246158
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Namediethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cnccn2)cc(C(=O)OCC)c1
InChIInChI=1S/C17H17N3O5/c1-3-24-16(22)11-7-12(17(23)25-4-2)9-13(8-11)20-15(21)14-10-18-5-6-19-14/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyOKPXXHIILXDGLS-UHFFFAOYSA-N
XLogP2.08
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate (CID 1246158) is diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)c2cnccn2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate?
The InChIKey is OKPXXHIILXDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-3-24-16(22)11-7-12(17(23)25-4-2)9-13(8-11)20-15(21)14-10-18-5-6-19-14/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate?
diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(pyrazine-2-carbonylamino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 1246158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).