N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]quinoline-2-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]quinoline-2-carboxamide
N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]quinoline-2-carboxamide
Compound characteristics
| Compound ID: | S823-0260 |
| Compound Name: | N-[rel-(3R,4S)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]quinoline-2-carboxamide |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C19 H19 N5 O2 |
| Smiles: | C1[C@H]([C@@H](CN1c1ccncn1)CO)NC(c1ccc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.614 |
| logD: | 1.6134 |
| logSw: | -1.8796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.36 |
| InChI Key: | SXCZDMUNYJEVLC-PBHICJAKSA-N |