6-(3-Isopropylureido)nicotinic acid
Basic information
- Standard SMILES
CC(C)NC(=O)Nc1ccc(C(=O)O)cn1- InChIKey
LQOQLSUBJMIHSY-UHFFFAOYSA-N- Molecular formula
- C10H13N3O3
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.09569129
Names & identifiers
- Preferred name
- 6-(3-Isopropylureido)nicotinic acid
- IUPAC
- 6-(propan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
Names & synonyms
6-(3-isopropylureido)nicotinic acidSCHEMBL1586330LQOQLSUBJMIHSY-UHFFFAOYSA-NAKOS0105733586-(3-Isopropyl-ureido)-nicotinic acid1160755-18-9DB-317861
Database identifiers
- PubChem CID
- 61319003
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
3 records
Compound notes
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