4-oxopyridine-1-carboxamide

C6H6N2O2 — CID 57052269

IUPAC4-oxopyridine-1-carboxamide
SMILESNC(=O)n1ccc(=O)cc1
InChIInChI=1S/C6H6N2O2/c7-6(10)8-3-1-5(9)2-4-8/h1-4H,(H2,7,10)
InChIKeyNQDFVPUNTLCSAN-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.22
Rot. Bonds

About 4-oxopyridine-1-carboxamide

4-oxopyridine-1-carboxamide (PubChem CID 57052269) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-oxopyridine-1-carboxamide.

Molecular Properties

Compound Name4-oxopyridine-1-carboxamide
PubChem CID57052269
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4-oxopyridine-1-carboxamide
SMILESNC(=O)n1ccc(=O)cc1
InChIInChI=1S/C6H6N2O2/c7-6(10)8-3-1-5(9)2-4-8/h1-4H,(H2,7,10)
InChIKeyNQDFVPUNTLCSAN-UHFFFAOYSA-N
XLogP-0.22
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxopyridine-1-carboxamide?
The IUPAC name of 4-oxopyridine-1-carboxamide (CID 57052269) is 4-oxopyridine-1-carboxamide.
What is the SMILES notation for 4-oxopyridine-1-carboxamide?
The canonical SMILES for 4-oxopyridine-1-carboxamide is NC(=O)n1ccc(=O)cc1.
What is the InChIKey of 4-oxopyridine-1-carboxamide?
The InChIKey is NQDFVPUNTLCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-6(10)8-3-1-5(9)2-4-8/h1-4H,(H2,7,10).
What are the key properties of 4-oxopyridine-1-carboxamide?
4-oxopyridine-1-carboxamide has a molecular weight of 138.13 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyridine-1-carboxamide is sourced from PubChem (CID 57052269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).