5-nitro-2-oxo-3H-pyridine-3-carboxamide

C6H5N3O4 — CID 74420408

IUPAC5-nitro-2-oxo-3H-pyridine-3-carboxamide
SMILESNC(=O)C1C=C([N+](=O)[O-])C=NC1=O
InChIInChI=1S/C6H5N3O4/c7-5(10)4-1-3(9(12)13)2-8-6(4)11/h1-2,4H,(H2,7,10)
InChIKeyNRFASQYJXFKATQ-UHFFFAOYSA-N
MW183.12 g/mol
LogP-1.14
Rot. Bonds2

About 5-nitro-2-oxo-3H-pyridine-3-carboxamide

5-nitro-2-oxo-3H-pyridine-3-carboxamide (PubChem CID 74420408) has the molecular formula C6H5N3O4 and a molecular weight of 183.12 g/mol. Its IUPAC name is 5-nitro-2-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-oxo-3H-pyridine-3-carboxamide
PubChem CID74420408
Molecular FormulaC6H5N3O4
Molecular Weight183.12 g/mol
Exact Mass183.03
IUPAC Name5-nitro-2-oxo-3H-pyridine-3-carboxamide
SMILESNC(=O)C1C=C([N+](=O)[O-])C=NC1=O
InChIInChI=1S/C6H5N3O4/c7-5(10)4-1-3(9(12)13)2-8-6(4)11/h1-2,4H,(H2,7,10)
InChIKeyNRFASQYJXFKATQ-UHFFFAOYSA-N
XLogP-1.14
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-oxo-3H-pyridine-3-carboxamide (CID 74420408) is 5-nitro-2-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-oxo-3H-pyridine-3-carboxamide is NC(=O)C1C=C([N+](=O)[O-])C=NC1=O.
What is the InChIKey of 5-nitro-2-oxo-3H-pyridine-3-carboxamide?
The InChIKey is NRFASQYJXFKATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O4/c7-5(10)4-1-3(9(12)13)2-8-6(4)11/h1-2,4H,(H2,7,10).
What are the key properties of 5-nitro-2-oxo-3H-pyridine-3-carboxamide?
5-nitro-2-oxo-3H-pyridine-3-carboxamide has a molecular weight of 183.12 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 74420408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).