3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic Acid
Basic information
- CAS
733761-59-6- Standard SMILES
O=C(O)c1nccnc1C(=O)NCCc1c[nH]c2ccccc12- InChIKey
SSMAJXIUUJHXMF-UHFFFAOYSA-N- Molecular formula
- C16H14N4O3
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.10659032
Names & identifiers
- Preferred name
- 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic Acid
- IUPAC
- 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
Names & synonyms
3-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrazine-2-carboxylic acid3-((2-(1H-indol-3-yl)ethyl)carbamoyl)pyrazine-2-carboxylic acid3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic Acid733761-59-6MLS000774313CHEMBL1572886DTXSID401331238HMS2774A06STL519587AKOS005210820SMR000365390Z56915550
Database identifiers
- CAS
733761-59-6- PubChem CID
- 2392497
- DTXSID
DTXSID401331238- ChEMBL
CHEMBL1572886
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility42.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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