(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide
Formula:C14H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylprop-2-enamide |
| MolecularFormula | C14H15N3O2 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1ccncc1 |
| InChI | InChI=1S/C14H15N3O2/c15-9-12(8-11-3-5-16-6-4-11)14(18)17-10-13-2-1-7-19-13/h3-6,8,13H,1-2,7,10H2,(H,17,18)/t13-/m1/s1 |
| InChIK | MYAFCKSUJDSXKQ-CYBMUJFWSA-N |
| TotalMolweight | 257.292 |
| Molweight | 257.292 |
| MonoisotopicMass | 257.116427 |
| CLogP | 0.5785 |
| CLogS | -2.153 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.69 |
| Relative PSA | 0.27885 |
| PolarSurfaceArea | 75.01 |
| Druglikeness | -2.5778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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