N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C22H17N4OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C22H17N4OI |
| Smiles | O=C(c1cnccc1)N/N=C\c1cn(Cc(cc2)ccc2I)c2c1cccc2 |
| InChI | InChI=1S/C22H17IN4O/c23-19-9-7-16(8-10-19)14-27-15-18(20-5-1-2-6-21(20)27)13-25-26-22(28)17-4-3-11-24-12-17/h1-13,15H,14H2,(H,26,28) |
| InChIK | XNYBRLFYLOHDFX-UHFFFAOYSA-N |
| TotalMolweight | 480.304 |
| Molweight | 480.304 |
| MonoisotopicMass | 480.044709 |
| CLogP | 4.1675 |
| CLogS | -4.92 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.35 |
| Relative PSA | 0.17407 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.5355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| 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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1 - N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
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