4,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidine-2-carboxamide
Formula:C23H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidine-2-carboxamide is a drug-like molecule.
| MolName | 4,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidine-2-carboxamide |
| MolecularFormula | C23H17N5O |
| Smiles | O=C(c1nc(-c2ccccc2)cc(-c2ccccc2)n1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C23H17N5O/c29-23(28-25-16-17-8-7-13-24-15-17)22-26-20(18-9-3-1-4-10-18)14-21(27-22)19-11-5-2-6-12-19/h1-16H,(H,28,29) |
| InChIK | WQQWBFCRBOOHJE-UHFFFAOYSA-N |
| TotalMolweight | 379.422 |
| Molweight | 379.422 |
| MonoisotopicMass | 379.14331 |
| CLogP | 4.0274 |
| CLogS | -4.762 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 302.79 |
| Relative PSA | 0.22762 |
| PolarSurfaceArea | 80.13 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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