N-[(Z)-pyridin-3-ylmethylideneamino]-5-[2-(pyridin-3-ylmethylideneamino)acetyl]furan-2-carboxamide
Formula:C19H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-5-[2-(pyridin-3-ylmethylideneamino)acetyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-5-[2-(pyridin-3-ylmethylideneamino)acetyl]furan-2-carboxamide |
| MolecularFormula | C19H15N5O3 |
| Smiles | O=C(C/N=C/c1cnccc1)c1ccc(C(N/N=C\c2cnccc2)=O)o1 |
| InChI | InChI=1S/C19H15N5O3/c25-16(13-22-11-14-3-1-7-20-9-14)17-5-6-18(27-17)19(26)24-23-12-15-4-2-8-21-10-15/h1-12H,13H2,(H,24,26) |
| InChIK | CDWOQPCCACHKAL-UHFFFAOYSA-N |
| TotalMolweight | 361.36 |
| Molweight | 361.36 |
| MonoisotopicMass | 361.11749 |
| CLogP | 1.4621 |
| CLogS | -3.833 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 290.23 |
| Relative PSA | 0.33287 |
| PolarSurfaceArea | 109.81 |
| Druglikeness | 7.0224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-3-ylmethylideneamino]-5-[2-(pyridin-3-ylmethylideneamino)acetyl]furan-2-carboxamide | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-5-[2-(pyridin-3-ylmethylideneamino)acetyl]furan-2-carboxamide
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