N-methyl-2-pyridone-5-carboxamide
Showing entry for N-methyl-2-pyridone-5-carboxamide
Identification
- PhytoHub ID
- PHUB002558
- Name
- N-methyl-2-pyridone-5-carboxamide
- Systematic Name
- N-methyl-2-pyridone-5-carboxamide
- Synonyms
- 1-Methyl-5-carboxylamide-2-pyridone
- N-Methyl-2-pyridone-5-carboxamide
- N'-methyl-2-pyridone-5-carboxamide
- N'Methyl-2-pyridone-5-carboxamide
- N(1)-Methyl-2-pyridone-5-carboxamide
- CAS Number
- 701-44-0
- Average Mass
- 152.153
- Monoisotopic Mass
- 152.058577506
- Chemical Formula
- C7H8N2O2
- IUPAC Name
- 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
- InChI Key
- JLQSXXWTCJPCBC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
- SMILES
CN1C=C(C=CC1=O)C(N)=O
- Structure
Structure for N-methyl-2-pyridone-5-carboxamide
Calculated Properties
- Solubility (ALOGPS)
- 4.14e+01 g/l
- LogS (ALOGPS)
- -0.57
- LogP (ALOGPS)
- -0.96
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 63.4
- Refractivity
- 40.763400000000004
- Polarizability
- 14.712395231777151
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.3324703046859154
- pKa (strongest acidic)
- 15.931644734638628
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- FooDB (Compounds)
- FDB023330
- KEGG
- C05842
- Wikipedia
- N1-Methyl-2-pyridone-5-carboxamide
- PubChem
- 69698
- ChEBI
- 27410
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Alkaloid metabolites
- Sub-class
- Purines and pyrimidines (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Coffee pyrimidines | N-containing compounds | Alkaloids | Purine and pyrimidine alkaloids | 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 | |||
|---|---|---|---|---|---|
| Coffee pyrimidines | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Coffee pyrimidines | N-methyl-2-pyridone-5-carboxamide | human | urine | host metabolism | Not Available | Not Available | 50-70% | C7H8N2O2 | 152.058577506 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|