N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]pyridine-4-carboxamide
Formula:C23H24N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C23H24N4O2 |
| Smiles | O=C(c1ccncc1)N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C23H24N4O2/c28-23(19-8-10-24-11-9-19)26-25-17-21-7-6-20(16-18-4-2-1-3-5-18)22(21)27-12-14-29-15-13-27/h1-5,8-11,16-17H,6-7,12-15H2,(H,26,28) |
| InChIK | HAPKVCCVQRUNOE-UHFFFAOYSA-N |
| TotalMolweight | 388.47 |
| Molweight | 388.47 |
| MonoisotopicMass | 388.189926 |
| CLogP | 2.7802 |
| CLogS | -3.492 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.24 |
| Relative PSA | 0.19574 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 4.6644 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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