N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C21H15N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C21H15N4O2Br |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(c2cnccc2)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C21H15BrN4O2/c22-19-10-15(12-25-26-21(27)17-6-3-9-24-13-17)7-8-20(19)28-14-18-5-2-1-4-16(18)11-23/h1-10,12-13H,14H2,(H,26,27) |
| InChIK | AOHZRGNZHIBDIF-UHFFFAOYSA-N |
| TotalMolweight | 435.28 |
| Molweight | 435.28 |
| MonoisotopicMass | 434.037837 |
| CLogP | 4.1096 |
| CLogS | -5.874 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.61 |
| Relative PSA | 0.22784 |
| PolarSurfaceArea | 87.37 |
| Druglikeness | -2.0495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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