N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C27H23N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C27H23N3O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C27H23N3O3/c31-27(24-13-15-28-16-14-24)30-29-18-23-11-12-25(32-19-21-7-3-1-4-8-21)26(17-23)33-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,31) |
| InChIK | WHGXZOAQPMRTJD-UHFFFAOYSA-N |
| TotalMolweight | 437.498 |
| Molweight | 437.498 |
| MonoisotopicMass | 437.173942 |
| CLogP | 4.8969 |
| CLogS | -5.608 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.79 |
| Relative PSA | 0.18986 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.0205 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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