N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-bromopyridine-3-carboxamide
Formula:C22H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-bromopyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-bromopyridine-3-carboxamide |
| MolecularFormula | C22H17N4OBr |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C22H17BrN4O/c23-19-10-17(11-24-13-19)22(28)26-25-12-18-15-27(14-16-6-2-1-3-7-16)21-9-5-4-8-20(18)21/h1-13,15H,14H2,(H,26,28) |
| InChIK | NYFPJTUGPOJGFQ-UHFFFAOYSA-N |
| TotalMolweight | 433.308 |
| Molweight | 433.308 |
| MonoisotopicMass | 432.058572 |
| CLogP | 4.4556 |
| CLogS | -4.738 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.7 |
| Relative PSA | 0.17849 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.3617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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