Skip to content
[P]pubcas
Independent chemical reference Compare
Home/Chemicals/98-92-0
Chemical substance record

Nicotinamide

98-92-0C6H6N2O122.127 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number98-92-0ChEBI ↗
Molecular formulaC6H6N2OChEBI ↗
Molar mass122.127 g/molChEBI ↗
Monoisotopic mass122.04801 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:17154ChEBI ↗

Cross-source molecular data

PubChem
Molar mass122.12 g/molPubChem ↗
Exact mass122.048012819 DaPubChem ↗
Computed XLogP-0.4PubChem ↗
Topological polar surface area (Ų)56PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors2PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
nicotinamide
pyridine-3-carboxamide
DFPAKSUCGFBDDF-UHFFFAOYSA-N
NC(=O)c1cccnc1
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

Names & synonyms

nicotinamidanicotinamidumpyridine-3-carboxamide

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
vitamin B3ChEBI parent class · 176839 ↗pyridinecarboxamideChEBI parent class · 25529 ↗pyridine alkaloidChEBI parent class · 26416 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

geroprotectorantioxidantrenoprotective agentcofactormetaboliteantidepressantantineoplastic agentimmunosuppressive agentantiglaucoma drugantipsoriatic

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0081882 mol

Uses 122.127 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 6 atoms
59.01%
N
Nitrogen · 2 atoms
22.94%
O
Oxygen · 1 atom
13.10%
H
Hydrogen · 6 atoms
4.95%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Delayed treatment with nicotinamide (Vitamin B(3)) improves neurological outcome and reduces infarct volume after transient focal cerebral ischemia in Wistar rats. ↗Stroke · 2000 Jul · PMID 10884473
Effects of nicotinamide, an inhibitor of PARS activity, on gut and liver O2 exchange and energy metabolism during hyperdynamic porcine endotoxemia. ↗Intensive care medicine · 2001 Mar · PMID 11355130
US2904552 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US2993051 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:17154

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 936 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembledSuggest a correction