N-carbamoyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide
Formula:C9H10N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-carbamoyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-carbamoyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide |
| MolecularFormula | C9H10N4O3 |
| Smiles | NC(NC(CN(C=C1)C=CC1=CN=O)=O)=O |
| InChI | InChI=1S/C9H10N4O3/c10-9(15)12-8(14)6-13-3-1-7(2-4-13)5-11-16/h1-5H,6H2,(H3,10,12,14,15) |
| InChIK | NEXZMEBFRIPDFC-UHFFFAOYSA-N |
| TotalMolweight | 222.203 |
| Molweight | 222.203 |
| MonoisotopicMass | 222.075291 |
| CLogP | -2.0342 |
| CLogS | -1.503 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 175.05 |
| Relative PSA | 0.46221 |
| PolarSurfaceArea | 104.86 |
| Druglikeness | 3.1532 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-carbamoyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide | 2 - N-carbamoyl-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off