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Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(N)nc1)c1cn(C2CCCCC2)cn1- InChIKey
IRLIYIPUIDRSIO-UHFFFAOYSA-N- Molecular formula
- C18H24N4O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.18992602
Names & identifiers
- Preferred name
- Methyl 3-(6-aminopyridin-3-yl)-2-(1-cyclohexyl-1H-imidazol-4-yl)propionate
- IUPAC
- methyl 3-(6-amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoate
Names & synonyms
SCHEMBL4948777IRLIYIPUIDRSIO-UHFFFAOYSA-NMethyl 3-(6-aminopyridin-3-yl)-2-(1-cyclohexyl-1H-imidazol-4-yl)propionate
Database identifiers
- PubChem CID
- 11508169
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Related reactions
1 records
Compound notes
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