2-(azepan-1-yl)-2-oxo-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C14H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-2-oxo-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-2-oxo-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C14H18N4O2 |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H18N4O2/c19-13(14(20)18-8-3-1-2-4-9-18)17-16-11-12-6-5-7-15-10-12/h5-7,10-11H,1-4,8-9H2,(H,17,19) |
| InChIK | VDLXPLKUWIZEDF-UHFFFAOYSA-N |
| TotalMolweight | 274.323 |
| Molweight | 274.323 |
| MonoisotopicMass | 274.142976 |
| CLogP | 1.1758 |
| CLogS | -2.087 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.1 |
| Relative PSA | 0.28494 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 1.0505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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