methyl 3-[2-(3-cyanoanilino)-2-oxoethyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3-cyanoanilino)-2-oxoethyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 3-[2-(3-cyanoanilino)-2-oxoethyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-4097 |
| Compound Name: | methyl 3-[2-(3-cyanoanilino)-2-oxoethyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Smiles: | CN1C(N(CC(Nc2cccc(C#N)c2)=O)C(c2c(cc(C3CC3)nc12)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8977 |
| logD: | 2.8975 |
| logSw: | -3.3119 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.834 |
| InChI Key: | XIUHIXCUUMJELP-UHFFFAOYSA-N |