Basic information
- Standard SMILES
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)CC1CC1- InChIKey
MBHMCPDRAOESBT-UHFFFAOYSA-N- Molecular formula
- C16H20N4O2
- Average molar mass
- 300.36 g/mol
- Monoisotopic mass
- 300.15862589
Names & identifiers
- Preferred name
- US10273222, Example 59
- IUPAC
- 2-[1-[2-[cyclopropylmethyl(methyl)amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
Names & synonyms
CHEMBL4288025SCHEMBL16033966MBHMCPDRAOESBT-UHFFFAOYSA-NBDBM381999US10273222, Example 592-(1-{2- [(cyclopropylmethyl)(methyl)- amino]ethyl}-1H-imidazol-4- yl)pyridine-4-carboxylic acid2-(1-{2-[(cyclopropylmethyl)(methyl)amino]ethyl}-1H-imidazol-4-yl)pyridine-4-carboxylic acid
Database identifiers
- PubChem CID
- 90407463
- ChEMBL
CHEMBL4288025
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Related reactions
2 records
Compound notes
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