4-{[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
4-{[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | J026-3232 |
| Compound Name: | 4-{[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C27 H23 N5 O3 |
| Smiles: | Cc1cc(C(N2CCCC2)=O)c2C(N(Cc3ccc(C#N)cc3)C(N(c3ccccc3)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5667 |
| logD: | 3.5666 |
| logSw: | -3.7954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.431 |
| InChI Key: | ISIFKVLTSIOZOJ-UHFFFAOYSA-N |