N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
Formula:C23H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C23H17N5O |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(c3cnccc3)=O)c2)cccc1 |
| InChI | InChI=1S/C23H17N5O/c24-12-17-6-1-2-7-19(17)15-28-16-20(21-9-3-4-10-22(21)28)14-26-27-23(29)18-8-5-11-25-13-18/h1-11,13-14,16H,15H2,(H,27,29) |
| InChIK | PZXIXBFUIAHMOV-UHFFFAOYSA-N |
| TotalMolweight | 379.422 |
| Molweight | 379.422 |
| MonoisotopicMass | 379.14331 |
| CLogP | 3.566 |
| CLogS | -4.677 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.78 |
| Relative PSA | 0.22118 |
| PolarSurfaceArea | 83.07 |
| Druglikeness | 1.8717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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