5H-indole-2,6-dicarboxamide

C10H9N3O2 — CID 67994887

IUPAC5H-indole-2,6-dicarboxamide
SMILESNC(=O)C1=CC2=NC(C(N)=O)=CC2=CC1
InChIInChI=1S/C10H9N3O2/c11-9(14)6-2-1-5-3-8(10(12)15)13-7(5)4-6/h1,3-4H,2H2,(H2,11,14)(H2,12,15)
InChIKeyUBDKPQKDVOWWKY-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.45
Rot. Bonds2

About 5H-indole-2,6-dicarboxamide

5H-indole-2,6-dicarboxamide (PubChem CID 67994887) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5H-indole-2,6-dicarboxamide.

Molecular Properties

Compound Name5H-indole-2,6-dicarboxamide
PubChem CID67994887
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5H-indole-2,6-dicarboxamide
SMILESNC(=O)C1=CC2=NC(C(N)=O)=CC2=CC1
InChIInChI=1S/C10H9N3O2/c11-9(14)6-2-1-5-3-8(10(12)15)13-7(5)4-6/h1,3-4H,2H2,(H2,11,14)(H2,12,15)
InChIKeyUBDKPQKDVOWWKY-UHFFFAOYSA-N
XLogP-0.45
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-indole-2,6-dicarboxamide?
The IUPAC name of 5H-indole-2,6-dicarboxamide (CID 67994887) is 5H-indole-2,6-dicarboxamide.
What is the SMILES notation for 5H-indole-2,6-dicarboxamide?
The canonical SMILES for 5H-indole-2,6-dicarboxamide is NC(=O)C1=CC2=NC(C(N)=O)=CC2=CC1.
What is the InChIKey of 5H-indole-2,6-dicarboxamide?
The InChIKey is UBDKPQKDVOWWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-9(14)6-2-1-5-3-8(10(12)15)13-7(5)4-6/h1,3-4H,2H2,(H2,11,14)(H2,12,15).
What are the key properties of 5H-indole-2,6-dicarboxamide?
5H-indole-2,6-dicarboxamide has a molecular weight of 203.20 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-indole-2,6-dicarboxamide is sourced from PubChem (CID 67994887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).