Pyridine-3-carboxamide
PubChem CID: 3013212
Connections displayed (default: 10).
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| Compound Synonyms | LY217896 & Nicotinamide, pyridine-3-carboxamide, 1,3,4-thiadiazol-2-ylcyanamide, Nicotinamide compound with [1,3,4]thiadiazol-2-yl-cyanamide |
|---|---|
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pyridine-3-carboxamide, 1,3,4-thiadiazol-2-ylcyanamide |
| Prediction Hob | 1.0 |
| Molecular Formula | C9H8N6OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQPOZBXKDAWGPS-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | 0.451 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.435 |
| Compound Name | Pyridine-3-carboxamide, 1,3,4-thiadiazol-2-ylcyanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.048 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 248.27 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.291503729411765 |
| Inchi | InChI=1S/C6H6N2O.C3H2N4S/c7-6(9)5-2-1-3-8-4-5, 4-1-5-3-7-6-2-8-3/h1-4H,(H2,7,9), 2H,(H,5,7) |
| Smiles | C1=CC(=CN=C1)C(=O)N.C1=NN=C(S1)NC#N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Austrotaxus Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Taraxacum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients