| MolName | N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(2-phenylethyl)butanediamide |
| MolecularFormula | C18H19N5O3 |
| Smiles | O=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)NCCc1ccccc1 |
| InChI | InChI=1S/C18H19N5O3/c24-15(19-11-10-12-4-2-1-3-5-12)8-9-16(25)21-14-7-6-13-17(22-14)23-18(26)20-13/h1-7H,8-11H2,(H,19,24)(H3,20,21,22,23,25,26) |
| InChIK | OVGCAUVUNRJGRW-UHFFFAOYSA-N |
| TotalMolweight | 353.381 |
| Molweight | 353.381 |
| MonoisotopicMass | 353.14879 |
| CLogP | 1.3913 |
| CLogS | -4.597 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 272.41 |
| Relative PSA | 0.35215 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | 0.76449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(2-phenylethyl)butanediamide | 2 - N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(2-phenylethyl)butanediamide