2-(cyanomethylsulfanyl)-6-methylpyridine-3-carboxamide
Formula:C9H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(cyanomethylsulfanyl)-6-methylpyridine-3-carboxamide is a drug-like molecule.
| MolName | 2-(cyanomethylsulfanyl)-6-methylpyridine-3-carboxamide |
| MolecularFormula | C9H9N3OS |
| Smiles | Cc1ccc(C(N)=O)c(SCC#N)n1 |
| InChI | InChI=1S/C9H9N3OS/c1-6-2-3-7(8(11)13)9(12-6)14-5-4-10/h2-3H,5H2,1H3,(H2,11,13) |
| InChIK | BSWKPQHKMJHURN-UHFFFAOYSA-N |
| TotalMolweight | 207.256 |
| Molweight | 207.256 |
| MonoisotopicMass | 207.046632 |
| CLogP | 0.4611 |
| CLogS | -2.269 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 163.51 |
| Relative PSA | 0.43013 |
| PolarSurfaceArea | 105.07 |
| Druglikeness | -4.3165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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