N-[(Z)-pyridin-2-ylmethylideneamino]adamantane-1-carboxamide
Formula:C17H21N3O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C17H21N3O |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C17H21N3O/c21-16(20-19-11-15-3-1-2-4-18-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2,(H,20,21) |
| InChIK | JLOLVTKSELPHBW-UHFFFAOYSA-N |
| TotalMolweight | 283.374 |
| Molweight | 283.374 |
| MonoisotopicMass | 283.168462 |
| CLogP | 2.708 |
| CLogS | -3.935 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.96 |
| Relative PSA | 0.21754 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.2464 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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