Physicochemical Properties
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.15 |
| Exact Mass | 136.064 |
| CAS # | 114-33-0 |
| Related CAS # | N-Methylnicotinamide-d4;2708278-64-0 |
| PubChem CID | 64950 |
| Appearance | White to off-white solid powder |
| Density | 1.106 g/cm3 |
| Boiling Point | 347.7ºC at 760 mmHg |
| Melting Point | 102-105 °C(lit.) |
| Flash Point | 164.1ºC |
| Vapour Pressure | 5.3E-05mmHg at 25°C |
| Index of Refraction | 1.529 |
| LogP | 0.832 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 10 |
| Complexity | 125 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C1=C([H])N=C([H])C([H])=C1[H])N([H])C([H])([H])[H] |
| InChi Key | ZYVXHFWBYUDDBM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) |
| Chemical Name | N-methylpyridine-3-carboxamide |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | Microbial Metabolite Human Endogenous Metabolite |
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion N-methylnicotinamide is excreted in the urine. |
| Additional Infomation |
N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. It has a role as a metabolite. It is functionally related to a nicotinamide. N-methylnicotinamide is an experimental drug with no approved indication or marketed formulation. It is a metabolite of niacinamide/nicotinamide and niacin/nicotinic acid (vitamin B3), and as such N-methylnicotinamide is used to diagnose niacin deficiency by measuring N-methylnicotinamide in the urine. Drug Indication N-methylnicotinamide is an experimental drug with no approved indication. |
Solubility Data
| Solubility (In Vitro) | DMSO: 250 mg/mL (1836.21 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (15.94 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 21.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.17 mg/mL (15.94 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 21.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.17 mg/mL (15.94 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 21.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 mL |