Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1ccccn1)Cc1ccc(C(=O)O)cn1- InChIKey
YHRDSVQXCAZWIO-UHFFFAOYSA-N- Molecular formula
- C18H21N3O4
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 6-(N-Boc-N-2-picolylaminomethyl)nicotinic Acid
- IUPAC
- 6-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL6018000YHRDSVQXCAZWIO-UHFFFAOYSA-N6-(N-Boc-N-2-picolylaminomethyl)nicotinic Acid
Database identifiers
- PubChem CID
- 21973663
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
3 records
Compound notes
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