(R)-N-(1-(3,4-dichlorophenyl)ethyl)-2-(2-ethoxypyridin-4-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide
Basic information
- Standard SMILES
CCOc1cc(Nc2ncc3c(n2)CN(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC3)ccn1- InChIKey
NTGWANZNYCLDJI-CQSZACIVSA-N- Molecular formula
- C23H24Cl2N6O2
- Average molar mass
- 487.4 g/mol
- Monoisotopic mass
- 486.1337794
Names & identifiers
- Preferred name
- (R)-N-(1-(3,4-dichlorophenyl)ethyl)-2-(2-ethoxypyridin-4-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide
- IUPAC
- N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[(2-ethoxy-4-pyridinyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
Names & synonyms
CHEMBL4111054SCHEMBL17081360NTGWANZNYCLDJI-CQSZACIVSA-NBDBM180943US9133187, I-35(R)-N-(1-(3,4-dichlorophenyl)ethyl)-2-(2-ethoxypyridin-4-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxamide
Database identifiers
- PubChem CID
- 60198529
- ChEMBL
CHEMBL4111054
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Related reactions
1 records
Compound notes
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