| MolName | 2,2-dimethyl-N-[6-(2-methylpropanoylamino)pyridin-3-yl]propanamide |
| MolecularFormula | C14H21N3O2 |
| Smiles | CC(C)C(Nc(cc1)ncc1NC(C(C)(C)C)=O)=O |
| InChI | InChI=1S/C14H21N3O2/c1-9(2)12(18)17-11-7-6-10(8-15-11)16-13(19)14(3,4)5/h6-9H,1-5H3,(H,16,19)(H,15,17,18) |
| InChIK | VXLIADGXFJLVJA-UHFFFAOYSA-N |
| TotalMolweight | 263.34 |
| Molweight | 263.34 |
| MonoisotopicMass | 263.163377 |
| CLogP | 2.3287 |
| CLogS | -3.067 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.65 |
| Relative PSA | 0.27939 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | -3.1586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,2-dimethyl-N-[6-(2-methylpropanoylamino)pyridin-3-yl]propanamide | 2 - 2,2-dimethyl-N-[6-(2-methylpropanoylamino)pyridin-3-yl]propanamide