2-oxo-N-[(Z)-pyridin-4-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide
Formula:C12H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-N-[(Z)-pyridin-4-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | 2-oxo-N-[(Z)-pyridin-4-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C12H14N4O2 |
| Smiles | O=C(C(N1CCCC1)=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C12H14N4O2/c17-11(12(18)16-7-1-2-8-16)15-14-9-10-3-5-13-6-4-10/h3-6,9H,1-2,7-8H2,(H,15,17) |
| InChIK | IZCMCCUTGUSCSM-UHFFFAOYSA-N |
| TotalMolweight | 246.269 |
| Molweight | 246.269 |
| MonoisotopicMass | 246.111676 |
| CLogP | 0.4918 |
| CLogS | -1.547 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 195.58 |
| Relative PSA | 0.32503 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 5.5112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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