3,5-dibenzamidopyrazine-2,6-dicarboxylic acid

C20H14N4O6 — CID 10272694

IUPAC3,5-dibenzamidopyrazine-2,6-dicarboxylic acid
SMILESO=C(Nc1nc(NC(=O)c2ccccc2)c(C(=O)O)nc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H14N4O6/c25-17(11-7-3-1-4-8-11)23-15-13(19(27)28)21-14(20(29)30)16(22-15)24-18(26)12-9-5-2-6-10-12/h1-10H,(H,27,28)(H,29,30)(H2,22,23,24,25,26)
InChIKeyPHRDOGXYNHINAM-UHFFFAOYSA-N
MW406.35 g/mol
LogP2.38
Rot. Bonds6

About 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid

3,5-dibenzamidopyrazine-2,6-dicarboxylic acid (PubChem CID 10272694) has the molecular formula C20H14N4O6 and a molecular weight of 406.35 g/mol. Its IUPAC name is 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,5-dibenzamidopyrazine-2,6-dicarboxylic acid
PubChem CID10272694
Molecular FormulaC20H14N4O6
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC Name3,5-dibenzamidopyrazine-2,6-dicarboxylic acid
SMILESO=C(Nc1nc(NC(=O)c2ccccc2)c(C(=O)O)nc1C(=O)O)c1ccccc1
InChIInChI=1S/C20H14N4O6/c25-17(11-7-3-1-4-8-11)23-15-13(19(27)28)21-14(20(29)30)16(22-15)24-18(26)12-9-5-2-6-10-12/h1-10H,(H,27,28)(H,29,30)(H2,22,23,24,25,26)
InChIKeyPHRDOGXYNHINAM-UHFFFAOYSA-N
XLogP2.38
TPSA158.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid?
The IUPAC name of 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid (CID 10272694) is 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid.
What is the SMILES notation for 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid?
The canonical SMILES for 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid is O=C(Nc1nc(NC(=O)c2ccccc2)c(C(=O)O)nc1C(=O)O)c1ccccc1.
What is the InChIKey of 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid?
The InChIKey is PHRDOGXYNHINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6/c25-17(11-7-3-1-4-8-11)23-15-13(19(27)28)21-14(20(29)30)16(22-15)24-18(26)12-9-5-2-6-10-12/h1-10H,(H,27,28)(H,29,30)(H2,22,23,24,25,26).
What are the key properties of 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid?
3,5-dibenzamidopyrazine-2,6-dicarboxylic acid has a molecular weight of 406.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibenzamidopyrazine-2,6-dicarboxylic acid is sourced from PubChem (CID 10272694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).