N-Methylnicotinamide
Showing entry for N-Methylnicotinamide
Identification
- PhytoHub ID
- PHUB002555
- Name
- N-Methylnicotinamide
- Systematic Name
- N-Methylnicotinamide
- Synonyms
- 3-(Methylcarbamoyl)pyridine
- 3-(N-Methylcarbamoyl)pyridine
- N-Methyl nicotineamide
- N-Methyl-3-pyridinecarboxamide
- N-methylpyridine-3-carboxamide
- Nicotinic acid methylamide
- CAS Number
- 114-33-0
- Average Mass
- 136.154
- Monoisotopic Mass
- 136.063662886
- Chemical Formula
- C7H8N2O
- IUPAC Name
- N-methylpyridine-3-carboxamide
- InChI Key
- ZYVXHFWBYUDDBM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
- SMILES
CNC(=O)C1=CC=CN=C1
- Structure
Structure for N-Methylnicotinamide
Calculated Properties
- Solubility (ALOGPS)
- 1.86e+01 g/l
- LogS (ALOGPS)
- -0.87
- LogP (ALOGPS)
- -0.21
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 41.99
- Refractivity
- 37.876200000000004
- Polarizability
- 13.871444653571341
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 3.6226282895542377
- pKa (strongest acidic)
- 13.749769804133647
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 64399
- HMDB
- HMDB0003152
- Wikipedia
- Nicotinyl_methylamide
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Miscellaneous N-containing compound metabolites
- Sub-class
- Unspecified
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-Methylnicotinamide | N-containing compound metabolites | Miscellaneous N-containing compound metabolites | Unspecified | Show Food Phytochemical |
| Nicotinamide | N-containing compounds | Miscellaneous N-containing compounds | Not Available | 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