US9296747, Example 3
Basic information
- Standard SMILES
O=C(Nc1cccnc1)N1CCc2nc(Nc3ccccc3)ncc2C1- InChIKey
LYBLUZUMYQEMHJ-UHFFFAOYSA-N- Molecular formula
- C19H18N6O
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- US9296747, Example 3
- IUPAC
- 2-anilino-N-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
Names & synonyms
CHEMBL3944186SCHEMBL17620626US9296747, Example 3LYBLUZUMYQEMHJ-UHFFFAOYSA-NBDBM2147082-anilino-N-pyridin-3-yl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
Database identifiers
- PubChem CID
- 118970906
- ChEMBL
CHEMBL3944186
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
1 records
Compound notes
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