Nicotinamide
precursor
Showing entry for Nicotinamide
Identification
- PhytoHub ID
- PHUB002556
- Name
- Nicotinamide
- Systematic Name
- Nicotinamide
- Synonyms
- 3-carbamoylpyridine
- 3-pyridinecarboxamide
- m-(aminocarbonyl)pyridine
- niacin
- Niacinamide
- niamide
- nicotine amide
- nicotinic acid amide
- vitamin B3
- vitamin PP
- β-pyridinecarboxamide
- CAS Number
- 98-92-0
- Average Mass
- 122.127
- Monoisotopic Mass
- 122.048012821
- Chemical Formula
- C6H6N2O
- IUPAC Name
- pyridine-3-carboxamide
- InChI Key
- DFPAKSUCGFBDDF-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
- SMILES
NC(=O)C1=CC=CN=C1
- Structure
Structure for Nicotinamide
Calculated Properties
- Solubility (ALOGPS)
- 5.01e+01 g/l
- LogS (ALOGPS)
- -0.39
- LogP (ALOGPS)
- -0.45
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 55.980000000000004
- Refractivity
- 32.9795
- Polarizability
- 11.713165523468733
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 3.634895404358332
- pKa (strongest acidic)
- 13.385761887715242
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 17154
- Wikipedia
- Nicotinamide
- HMDB
- HMDB0001406
- FooDB (Compounds)
- FDB012485
- PubChem
- 936
- KEGG
- D00036
- Wikidata
- Q192423
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Miscellaneous N-containing compounds
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- N-containing compound metabolites
- Metabolite Class
- Miscellaneous N-containing compound metabolites
- Metabolite Sub-class
- Unspecified
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Nicotinamide | N-containing compounds | Miscellaneous N-containing compounds | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Coffee | Coffee and coffee products | Publications | Show |
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Nicotinamide | Coffee | Coffee and coffee products | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Nicotinamide | N-Methylnicotinamide | human | serum, urine | host metabolism | 1h-3h | Not Available | 10-30% | C7H8N2O | 136.063662886 | Detailed Intervention Studies | Publications | ||
| Nicotinamide | Nicotinamide | human | plasma, urine | unchanged | 1h-3h | >20µmol/L | 5-10% | C6H6N2O | 122.048012821 | Detailed Intervention Studies | Publications | ||
| Nicotinamide | 2-pyridone-5-carboxamide | human | urine | host metabolism | Not Available | Not Available | Not Available | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|