N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
Formula:C23H20N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C23H20N4O2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(CCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C23H20N4O2/c28-23(18-10-12-24-13-11-18)26-25-16-19-17-27(22-9-5-4-8-21(19)22)14-15-29-20-6-2-1-3-7-20/h1-13,16-17H,14-15H2,(H,26,28) |
| InChIK | PRAAYCQUVPLZOO-UHFFFAOYSA-N |
| TotalMolweight | 384.438 |
| Molweight | 384.438 |
| MonoisotopicMass | 384.158626 |
| CLogP | 3.6476 |
| CLogS | -4.069 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.83 |
| Relative PSA | 0.2081 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 6.2696 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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