(2E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Chemical Structure Depiction of
(2E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
(2E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Compound characteristics
| Compound ID: | IB09-2608 |
| Compound Name: | (2E)-3-[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide |
| Molecular Weight: | 485.59 |
| Molecular Formula: | C28 H31 N5 O3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCCOC)=O)C2=O)N1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.33 |
| logD: | 3.32 |
| logSw: | -4.17 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.53 |
| InChI Key: | LRMUQIVUZLGLSF-UHFFFAOYSA-N |