3-(5-(2-(((4'-Chloro-[1,1'-biphenyl]-4-yl)amino)methyl)phenyl)picolinamido)propanoic acid

HCID 71059622
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1
InChIKey
KOIZXFRIJXSBBU-UHFFFAOYSA-N
Molecular formula
C28H24ClN3O3
Average molar mass
486 g/mol

Names & identifiers

Preferred name
3-(5-(2-(((4'-Chloro-[1,1'-biphenyl]-4-yl)amino)methyl)phenyl)picolinamido)propanoic acid
IUPAC
3-[[5-[2-[[4-(4-chlorophenyl)anilino]methyl]phenyl]pyridine-2-carbonyl]amino]propanoic acid

Names & synonyms

CHEMBL3675798SCHEMBL14053686KOIZXFRIJXSBBU-UHFFFAOYSA-NBDBM123517US8748624, 23-(5-(2-(((4'-chloro-[1,1'-biphenyl]-4-yl)amino)methyl)phenyl)picolinamido)propanoic acid

Database identifiers

PubChem CID
71059622
ChEMBL
CHEMBL3675798

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
91.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
35

Related reactions

1 records
New reaction record

Linked notes

Loading…