N-[(Z)-[3-(2-phenoxyethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C21H19N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(2-phenoxyethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-phenoxyethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H19N3O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cc(OCCOc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H19N3O3/c25-21(18-9-11-22-12-10-18)24-23-16-17-5-4-8-20(15-17)27-14-13-26-19-6-2-1-3-7-19/h1-12,15-16H,13-14H2,(H,24,25) |
| InChIK | ZKRHRXODTCGBTK-UHFFFAOYSA-N |
| TotalMolweight | 361.4 |
| Molweight | 361.4 |
| MonoisotopicMass | 361.142642 |
| CLogP | 3.5557 |
| CLogS | -4.194 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.03 |
| Relative PSA | 0.22858 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | -2.8595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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