Basic information
- CAS
138772-59-5- Standard SMILES
CC(=O)OCCN=C(NC#N)c1cccnc1- InChIKey
UOZPWULILFRTCF-UHFFFAOYSA-N- Molecular formula
- C11H12N4O2
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.09602564
Overview
structure given in first source; a potassium channel opener; a derivative of KRN 2391
Names & identifiers
- Preferred name
- KI 4032
- IUPAC
- 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetate
Names & synonyms
Ki4032138772-59-5KI 4032DTXSID00160779KI-4032RefChem:151215DTXCID80832703-Pyridinecarboximidamide, N-(2-(acetyloxy)ethyl)-N'-cyano-2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl acetateN-(2-acetoxyethyl)-N'-cyano-3-pyridinecarboximidamide2-{(Z)-[(Cyanoamino)(pyridin-3-yl)methylidene]amino}ethyl acetate
Database identifiers
- CAS
138772-59-5- PubChem CID
- 126397
- DTXSID
DTXSID00160779- Nikkaji
- J434.979B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…