N-[(Z)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C19H15N6OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C19H15N6OBr |
| Smiles | N#CCCn(cc1/C=N\NC(c2ccncc2)=O)nc1-c(cc1)ccc1Br |
| InChI | InChI=1S/C19H15BrN6O/c20-17-4-2-14(3-5-17)18-16(13-26(25-18)11-1-8-21)12-23-24-19(27)15-6-9-22-10-7-15/h2-7,9-10,12-13H,1,11H2,(H,24,27) |
| InChIK | VXTRHWBGKYTEBS-UHFFFAOYSA-N |
| TotalMolweight | 423.273 |
| Molweight | 423.273 |
| MonoisotopicMass | 422.04907 |
| CLogP | 2.6944 |
| CLogS | -4.728 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 301.33 |
| Relative PSA | 0.26011 |
| PolarSurfaceArea | 95.96 |
| Druglikeness | -2.4644 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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