N-[(Z)-quinolin-2-ylmethylideneamino]pyridine-4-carboxamide
Formula:C16H12N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-quinolin-2-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-quinolin-2-ylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C16H12N4O |
| Smiles | O=C(c1ccncc1)N/N=C\c1nc2ccccc2cc1 |
| InChI | InChI=1S/C16H12N4O/c21-16(13-7-9-17-10-8-13)20-18-11-14-6-5-12-3-1-2-4-15(12)19-14/h1-11H,(H,20,21) |
| InChIK | CYUBXTHNPFNGQN-UHFFFAOYSA-N |
| TotalMolweight | 276.298 |
| Molweight | 276.298 |
| MonoisotopicMass | 276.101111 |
| CLogP | 2.5707 |
| CLogS | -3.656 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.11 |
| Relative PSA | 0.26448 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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