N-[(E)-(1-benzylindol-3-yl)methylideneamino]pyridine-4-carboxamide
Formula:C22H18N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(1-benzylindol-3-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(1-benzylindol-3-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C22H18N4O |
| Smiles | O=C(c1ccncc1)N/N=C/c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C22H18N4O/c27-22(18-10-12-23-13-11-18)25-24-14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-14,16H,15H2,(H,25,27) |
| InChIK | MWRQHPQDTWMPLQ-UHFFFAOYSA-N |
| TotalMolweight | 354.412 |
| Molweight | 354.412 |
| MonoisotopicMass | 354.148061 |
| CLogP | 3.7304 |
| CLogS | -3.904 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.07 |
| Relative PSA | 0.19024 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.1517 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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