N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C26H20N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C26H20N4O |
| Smiles | O=C(c1cnccc1)N/N=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2 |
| InChI | InChI=1S/C26H20N4O/c31-26(20-10-6-14-27-15-20)29-28-16-22-18-30(25-13-4-3-12-24(22)25)17-21-9-5-8-19-7-1-2-11-23(19)21/h1-16,18H,17H2,(H,29,31) |
| InChIK | IDVHEEANRNHOSY-UHFFFAOYSA-N |
| TotalMolweight | 404.472 |
| Molweight | 404.472 |
| MonoisotopicMass | 404.163711 |
| CLogP | 4.9248 |
| CLogS | -5.51 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.67 |
| Relative PSA | 0.16952 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.1517 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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