5-(Benzylamino)pyridine-2,4-dicarboxylic acid
5-(benzylamino)pyridine-2,4-dicarboxylic acid
Molecular Identity
5-(Benzylamino)pyridine-2,4-dicarboxylic acid
5-(benzylamino)pyridine-2,4-dicarboxylic acid
PubChem CID: 162423076
2D Structure
Properties
C14H12N2O4
Molecular Formula
272.26
Molecular Weight
g/mol
272.0797
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
99.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
355
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CNC2=CN=C(C=C2C(=O)O)C(=O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)CNC2=CN=C(C=C2C(=O)O)C(=O)OSynonyms(4)
CHEMBL54253395-(benzylamino)pyridine-2,4-dicarboxylic acidBDBM50627732HRF
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5-(Benzylamino)pyridine-2,4-dicarboxylic acid
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