| CAS Number | 1206170-62-8 |
| Catalog Number | AG01ENNQ(AGN-PC-3H460F) |
| Chemical Name | 4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide |
| IUPAC Name | 4-[[4-amino-6-(tert-butylamino)-5-cyanopyridin-2-yl]amino]benzamide |
| InChI | InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23) |
| InChI Key | XDEFNAWAKYQBQY-UHFFFAOYSA-N |
| MDL Number | MFCD28133370 |
| Molecular Formula | C17H20N6O |
| Molecular Weight | 324.3803 |
| SMILES | N#CC1=C(N)C=C(N=C1NC(C)(C)C)NC2=CC=C(C=C2)C(=O)N |
| Synonyms | TC Mps1 12,
1206170-62-8,
CHEMBL2089255,
4-[[4-Azanyl-6-(~{tert}-Butylamino)-5-Cyano-Pyridin-2-Yl]amino]benzamide,
4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide,
SCHEMBL18154878,
BDBM50420401,
ZINC84689624,
AKOS024458325,
NCGC00379193-01,
4-(4-Amino-6-(tert-butylamino)-5-cyanopyridin-2-ylamino)benzamide,
2-(tert-Butylamino)-4-amino-6-(4-carbamoylanilino)pyridine-3-carbonitrile,
8QE,
XDEFNAWAKYQBQY-UHFFFAOYSA-N,
|
| Complexity | 485 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.388g/mol |
| Monoisotopic Mass | 324.17g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number