N-Methyl-4-pyridone-5-carboxamide
Showing entry for N-Methyl-4-pyridone-5-carboxamide
Identification
- PhytoHub ID
- PHUB002557
- Name
- N-Methyl-4-pyridone-5-carboxamide
- Systematic Name
- N-Methyl-4-pyridone-5-carboxamide
- Synonyms
- 1-Methyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide
- 1-Methyl-4-pyridone-3-carboximide
- 1-Methyl-4-pyridone-5-carboxamide
- 1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide
- 3-(Aminocarbonyl)-1-methyl-4(1H)-pyridone
- 3-Pyridinecarboxamide, 1,4-dihydro-1-methyl-4-oxo-
- 5-Aminocarbonyl-1-methyl-4(1H)-pyridone
- N-methyl-4-pyridone-3-carboxamide
- n-methyl-4-pyridone-5-carboxamide
- N'-Methyl-4-pyridone-5-carboxamide
- N'-Methyl-4-pyridone-5-carboxamide
- N1-Methyl-4-pyridone-5-carboxamide
- CAS Number
- 769-49-3
- Average Mass
- 152.153
- Monoisotopic Mass
- 152.058577506
- Chemical Formula
- C7H8N2O2
- IUPAC Name
- 1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
- InChI Key
- KTLRWTOPTKGYQY-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)
- SMILES
CN1C=CC(=O)C(=C1)C(N)=O
- Structure
Structure for N-Methyl-4-pyridone-5-carboxamide
Calculated Properties
- Solubility (ALOGPS)
- 1.15e+02 g/l
- LogS (ALOGPS)
- -0.12
- LogP (ALOGPS)
- -1.02
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 63.4
- Refractivity
- 40.807599999999994
- Polarizability
- 14.701437263061488
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.101877609805792
- pKa (strongest acidic)
- 15.726987756581185
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- HMDB
- HMDB0004194
- ChEBI
- 27838
- PubChem
- 440810
- FooDB (Compounds)
- FDB023331
Taxonomy as Metabolite
- Family
- N-containing compounds
- Class
- Miscellaneous N-containing compounds
- Sub-class
- Miscellaneous N-containing compounds
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Coffee pyrimidines | N-containing compounds | Alkaloids | Purines and pyrimidines | Show Food Phytochemical |
| N-Methyl-4-pyridone-5-carboxamide | N-containing compounds | Miscellaneous N-containing compounds | Miscellaneous N-containing compounds | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found