| CAS Number | 791587-67-2 |
| Catalog Number | AG01EO7S(AGN-PC-0UE5US) |
| Chemical Name | cFMS-IN-2 |
| IUPAC Name | 5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide |
| InChI | InChI=1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24) |
| InChI Key | NNPCFFIJVKYGHR-UHFFFAOYSA-N |
| MDL Number | MFCD30533476 |
| Molecular Formula | C19H21N3O3 |
| Molecular Weight | 339.3883 |
| SMILES | C(#N)C1=CC=C(O1)C(=O)NC1=C(C=CC(=C1)CO)N1CCC(CC1)C |
| Synonyms | cFMS-IN-2,
CHEMBL400754,
791587-67-2,
5-Cyano-Furan-2-Carboxylic Acid [5-Hydroxymethyl-2-(4-Methyl-Piperidin-1-Yl)-Phenyl]-Amide,
5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide,
5CN,
Arylamide, 1,
2i0y,
2i1m,
SCHEMBL13148017,
BDBM17750,
NNPCFFIJVKYGHR-UHFFFAOYSA-N,
CS-8065,
DB07167,
HY-18787,
A16930,
CID9884318,
|
| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.395g/mol |
| Monoisotopic Mass | 339.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number