N-methyl-2-pyridone-5-carboxylic acid
Showing entry for N-methyl-2-pyridone-5-carboxylic acid
Identification
- PhytoHub ID
- PHUB002560
- Name
- N-methyl-2-pyridone-5-carboxylic acid
- Systematic Name
- N-methyl-2-pyridone-5-carboxylic acid
- Synonyms
- 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- 1-methyl-6-oxopyridine-3-carboxylic acid
- 1-methyl-6-oxopyridine-3-carboxylic acid
- Nudifloric acid
- CAS Number
- 3719-45-7
- Average Mass
- 153.137
- Monoisotopic Mass
- 153.042593089
- Chemical Formula
- C7H7NO3
- IUPAC Name
- 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- InChI Key
- RGZCKPXTNJAWMR-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)
- SMILES
CN1C=C(C=CC1=O)C(O)=O
- Structure
Structure for N-methyl-2-pyridone-5-carboxylic acid
Calculated Properties
- Solubility (ALOGPS)
- 3.63e+01 g/l
- LogS (ALOGPS)
- -0.62
- LogP (ALOGPS)
- 0.05
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 57.61
- Refractivity
- 38.9412
- Polarizability
- 14.310897804090693
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -3.3712490379361437
- pKa (strongest acidic)
- 3.275573064942554
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 592704
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 | |
|---|---|---|---|---|
| N-methyl-2-pyridone-5-carboxylic acid | N-containing compound metabolites | Alkaloid metabolites | Purines and pyrimidines (parent, host and microbial metabolites) | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| N-methyl-2-pyridone-5-carboxylic acid | N-methyl-2-pyridone-5-carboxylic acid | human | urine | unchanged | Not Available | Not Available | <1% | C7H7NO3 | 153.042593089 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|