N-[(Z)-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C23H17N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C23H17N4OF3 |
| Smiles | O=C(c1cnccc1)N/N=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2c1cccc2 |
| InChI | InChI=1S/C23H17F3N4O/c24-23(25,26)19-7-3-5-16(11-19)14-30-15-18(20-8-1-2-9-21(20)30)13-28-29-22(31)17-6-4-10-27-12-17/h1-13,15H,14H2,(H,29,31) |
| InChIK | ZMXBKXFYSBRHFK-UHFFFAOYSA-N |
| TotalMolweight | 422.409 |
| Molweight | 422.409 |
| MonoisotopicMass | 422.135445 |
| CLogP | 4.5787 |
| CLogS | -4.682 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.53 |
| Relative PSA | 0.1723 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -1.0383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
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