| MolName | N'-(2-chlorophenyl)-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide |
| MolecularFormula | C16H14N5O3Cl |
| Smiles | O=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C16H14ClN5O3/c17-9-3-1-2-4-10(9)18-13(23)7-8-14(24)20-12-6-5-11-15(21-12)22-16(25)19-11/h1-6H,7-8H2,(H,18,23)(H3,19,20,21,22,24,25) |
| InChIK | KFQXHNOYLFWZFG-UHFFFAOYSA-N |
| TotalMolweight | 359.772 |
| Molweight | 359.772 |
| MonoisotopicMass | 359.078517 |
| CLogP | 1.8578 |
| CLogS | -5.405 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 260.31 |
| Relative PSA | 0.36852 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | 0.093304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-(2-chlorophenyl)-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide | 2 - N'-(2-chlorophenyl)-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide