N-benzyl-3-[4-(nitrosomethylidene)pyridin-1-yl]propanamide
Formula:C16H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-benzyl-3-[4-(nitrosomethylidene)pyridin-1-yl]propanamide is a drug-like molecule.
| MolName | N-benzyl-3-[4-(nitrosomethylidene)pyridin-1-yl]propanamide |
| MolecularFormula | C16H17N3O2 |
| Smiles | O=C(CCN(C=C1)C=CC1=CN=O)NCc1ccccc1 |
| InChI | InChI=1S/C16H17N3O2/c20-16(17-12-14-4-2-1-3-5-14)8-11-19-9-6-15(7-10-19)13-18-21/h1-7,9-10,13H,8,11-12H2,(H,17,20) |
| InChIK | QLAHGBLLSJEVKE-UHFFFAOYSA-N |
| TotalMolweight | 283.33 |
| Molweight | 283.33 |
| MonoisotopicMass | 283.132077 |
| CLogP | 0.4041 |
| CLogS | -2.551 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.06 |
| Relative PSA | 0.22282 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 2.5829 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-3-[4-(nitrosomethylidene)pyridin-1-yl]propanamide | 2 - N-benzyl-3-[4-(nitrosomethylidene)pyridin-1-yl]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off