N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C20H16N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H16N3O2Br |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C20H16BrN3O2/c21-18-5-1-16(2-6-18)14-26-19-7-3-15(4-8-19)13-23-24-20(25)17-9-11-22-12-10-17/h1-13H,14H2,(H,24,25) |
| InChIK | OLRYKCOAPVPCLN-UHFFFAOYSA-N |
| TotalMolweight | 410.27 |
| Molweight | 410.27 |
| MonoisotopicMass | 409.042588 |
| CLogP | 4.274 |
| CLogS | -5.101 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.9 |
| Relative PSA | 0.19792 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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