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Basic information
- Standard SMILES
N#Cc1ccc(-c2cncc(CC(=O)O)c2)c(CN(Cc2ccccc2)C(=O)C2CC2)c1- InChIKey
GHHCYMXSQWLUPR-UHFFFAOYSA-N- Molecular formula
- C26H23N3O3
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.1739416
Names & identifiers
- Preferred name
- (5-{2-[(N-Benzyl-N-cyclopropanecarbonyl-amino)-methyl]-4-cyano-phenyl}-pyridin-3-yl)-acetic acid
- IUPAC
- 2-[5-[2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-4-cyanophenyl]-3-pyridinyl]acetic acid
Names & synonyms
SCHEMBL1922921GHHCYMXSQWLUPR-UHFFFAOYSA-N(5-{2-[(N-Benzyl-N-cyclopropanecarbonyl-amino)-methyl]-4-cyano-phenyl}-pyridin-3-yl)-acetic acid
Database identifiers
- PubChem CID
- 45138331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 706
Related reactions
2 records
Compound notes
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