N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-2-carboxamide
Formula:C21H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-2-carboxamide |
| MolecularFormula | C21H17N3O2 |
| Smiles | O=C(c1ncccc1)N/N=C(/C1)\c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C21H17N3O2/c25-21(17-11-6-7-13-22-17)24-23-18-14-20(15-8-2-1-3-9-15)26-19-12-5-4-10-16(18)19/h1-13,20H,14H2,(H,24,25)/t20-/m1/s1 |
| InChIK | QZOHAOSMTVCSKF-HXUWFJFHSA-N |
| TotalMolweight | 343.385 |
| Molweight | 343.385 |
| MonoisotopicMass | 343.132077 |
| CLogP | 3.8546 |
| CLogS | -4.538 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.48 |
| Relative PSA | 0.21382 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 3.5172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-2-carboxamide | 2 - N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-2-carboxamide
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