[(E)-[amino(pyridin-2-yl)methylidene]amino] 1-benzyl-6-oxopyridine-3-carboxylate
Formula:C19H16N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 1-benzyl-6-oxopyridine-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 1-benzyl-6-oxopyridine-3-carboxylate |
| MolecularFormula | C19H16N4O3 |
| Smiles | N/C(/c1ncccc1)=N/OC(C(C=C1)=CN(Cc2ccccc2)C1=O)=O |
| InChI | InChI=1S/C19H16N4O3/c20-18(16-8-4-5-11-21-16)22-26-19(25)15-9-10-17(24)23(13-15)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H2,20,22) |
| InChIK | DBCJQSDGEGTKFD-UHFFFAOYSA-N |
| TotalMolweight | 348.361 |
| Molweight | 348.361 |
| MonoisotopicMass | 348.122241 |
| CLogP | 1.4508 |
| CLogS | -2.799 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 270.54 |
| Relative PSA | 0.28602 |
| PolarSurfaceArea | 97.88 |
| Druglikeness | 0.10656 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 1-benzyl-6-oxopyridine-3-carboxylate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 1-benzyl-6-oxopyridine-3-carboxylate
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