| CAS Number | 1158560-99-6 |
| Catalog Number | AG008U0G(AGN-PC-0WBNJM) |
| Chemical Name | 2-Chloro-N-(4-(1-cyanocyclopentyl)phenyl)nicotinamide |
| IUPAC Name | 2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]pyridine-3-carboxamide |
| InChI | InChI=1S/C18H16ClN3O/c19-16-15(4-3-11-21-16)17(23)22-14-7-5-13(6-8-14)18(12-20)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,22,23) |
| InChI Key | NNVQLPWHPGZQRG-UHFFFAOYSA-N |
| MDL Number | MFCD13973599 |
| Molecular Formula | C18H16ClN3O |
| Molecular Weight | 325.7921 |
| SMILES | O=C(C1=CC=CN=C1Cl)NC2=CC=C(C3(C#N)CCCC3)C=C2 |
| Synonyms | AKOS027446680,
1158560-99-6,
2-Chloro-N-[4-(1-cyanocyclopentyl)phenyl]-3-pyridinecarboxamide,
NNVQLPWHPGZQRG-UHFFFAOYSA-N,
|
| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.796g/mol |
| Monoisotopic Mass | 325.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number