N-oxo-2,5-dihydropyridine-5-carboxamide

C6H6N2O2 — CID 91177226

IUPACN-oxo-2,5-dihydropyridine-5-carboxamide
SMILESO=NC(=O)C1C=CCN=C1
InChIInChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-2,4-5H,3H2
InChIKeyVXOMLWPPSRLYOA-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.54
Rot. Bonds1

About N-oxo-2,5-dihydropyridine-5-carboxamide

N-oxo-2,5-dihydropyridine-5-carboxamide (PubChem CID 91177226) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is N-oxo-2,5-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-oxo-2,5-dihydropyridine-5-carboxamide
PubChem CID91177226
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC NameN-oxo-2,5-dihydropyridine-5-carboxamide
SMILESO=NC(=O)C1C=CCN=C1
InChIInChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-2,4-5H,3H2
InChIKeyVXOMLWPPSRLYOA-UHFFFAOYSA-N
XLogP0.54
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-oxo-2,5-dihydropyridine-5-carboxamide?
The IUPAC name of N-oxo-2,5-dihydropyridine-5-carboxamide (CID 91177226) is N-oxo-2,5-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-oxo-2,5-dihydropyridine-5-carboxamide?
The canonical SMILES for N-oxo-2,5-dihydropyridine-5-carboxamide is O=NC(=O)C1C=CCN=C1.
What is the InChIKey of N-oxo-2,5-dihydropyridine-5-carboxamide?
The InChIKey is VXOMLWPPSRLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6(8-10)5-2-1-3-7-4-5/h1-2,4-5H,3H2.
What are the key properties of N-oxo-2,5-dihydropyridine-5-carboxamide?
N-oxo-2,5-dihydropyridine-5-carboxamide has a molecular weight of 138.13 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-2,5-dihydropyridine-5-carboxamide is sourced from PubChem (CID 91177226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).