| CAS Number | 1309976-62-2 |
| Catalog Number | AG009EFN(AGN-PC-0WOLX5) |
| Chemical Name | N-Cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide hydrochloride |
| IUPAC Name | N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;hydrochloride |
| InChI | InChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H |
| InChI Key | NBGAPTWZQXSEAA-UHFFFAOYSA-N |
| MDL Number | MFCD22683808 |
| Molecular Formula | C18H16ClFN2O |
| Molecular Weight | 330.7838 |
| SMILES | Cl.C1(CCC1)NC(C1=CN=C(C=C1)C#CC1=CC(=CC=C1)F)=O |
| Synonyms | N-cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide,
VU0360172,
VU 0360172 hydrochloride,
1309976-62-2,
VU 0360172,
VU0360172,
N-Cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]-3-pyridinecarboxamide hydrochloride,
MLS003874883,
AKOS024458093,
SMR002531667,
VU0360172-4,
VU0360172-5,
NBGAPTWZQXSEAA-UHFFFAOYSA-N,
B5555,
|
| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.787g/mol |
| Monoisotopic Mass | 330.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number