2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride

C8H10ClN3O2 — CID 91623841

IUPAC2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc2c([nH]c1=O)CNC2
InChIInChI=1S/C8H9N3O2.ClH/c9-7(12)5-1-4-2-10-3-6(4)11-8(5)13;/h1,10H,2-3H2,(H2,9,12)(H,11,13);1H
InChIKeyJRNKKKRVHMDLJK-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.50
Rot. Bonds1

About 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride

2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride (PubChem CID 91623841) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride
PubChem CID91623841
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc2c([nH]c1=O)CNC2
InChIInChI=1S/C8H9N3O2.ClH/c9-7(12)5-1-4-2-10-3-6(4)11-8(5)13;/h1,10H,2-3H2,(H2,9,12)(H,11,13);1H
InChIKeyJRNKKKRVHMDLJK-UHFFFAOYSA-N
XLogP-0.50
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride (CID 91623841) is 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1cc2c([nH]c1=O)CNC2.
What is the InChIKey of 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride?
The InChIKey is JRNKKKRVHMDLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.ClH/c9-7(12)5-1-4-2-10-3-6(4)11-8(5)13;/h1,10H,2-3H2,(H2,9,12)(H,11,13);1H.
What are the key properties of 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride?
2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 91623841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).