N'-[(Z)-furan-2-ylmethylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
Formula:C14H14N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-furan-2-ylmethylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-furan-2-ylmethylideneamino]-N-(pyridin-3-ylmethyl)propanediamide |
| MolecularFormula | C14H14N4O3 |
| Smiles | O=C(CC(N/N=C\c1ccco1)=O)NCc1cnccc1 |
| InChI | InChI=1S/C14H14N4O3/c19-13(16-9-11-3-1-5-15-8-11)7-14(20)18-17-10-12-4-2-6-21-12/h1-6,8,10H,7,9H2,(H,16,19)(H,18,20) |
| InChIK | QFWIDOVQRAIECJ-UHFFFAOYSA-N |
| TotalMolweight | 286.29 |
| Molweight | 286.29 |
| MonoisotopicMass | 286.106591 |
| CLogP | 0.4955 |
| CLogS | -2.498 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 232.17 |
| Relative PSA | 0.36865 |
| PolarSurfaceArea | 96.59 |
| Druglikeness | 2.3212 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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