6-oxo-3H-pyridine-3-carboxamide

C6H6N2O2 — CID 71628595

IUPAC6-oxo-3H-pyridine-3-carboxamide
SMILESNC(=O)C1C=CC(=O)N=C1
InChIInChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-4H,(H2,7,10)
InChIKeyPPGLROUPJNZTCK-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.74
Rot. Bonds1

About 6-oxo-3H-pyridine-3-carboxamide

6-oxo-3H-pyridine-3-carboxamide (PubChem CID 71628595) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 6-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-3H-pyridine-3-carboxamide
PubChem CID71628595
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name6-oxo-3H-pyridine-3-carboxamide
SMILESNC(=O)C1C=CC(=O)N=C1
InChIInChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-4H,(H2,7,10)
InChIKeyPPGLROUPJNZTCK-UHFFFAOYSA-N
XLogP-0.74
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-3H-pyridine-3-carboxamide (CID 71628595) is 6-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-3H-pyridine-3-carboxamide is NC(=O)C1C=CC(=O)N=C1.
What is the InChIKey of 6-oxo-3H-pyridine-3-carboxamide?
The InChIKey is PPGLROUPJNZTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-4H,(H2,7,10).
What are the key properties of 6-oxo-3H-pyridine-3-carboxamide?
6-oxo-3H-pyridine-3-carboxamide has a molecular weight of 138.13 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 71628595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).