| CAS Number | 1442684-77-6 |
| Catalog Number | AG00AMH6(AGN-PC-0WNHCR) |
| Chemical Name | AM2394 |
| IUPAC Name | 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyridin-3-yl]-4-(5-methylpyridin-3-yl)oxypyridin-2-yl]-3-methylurea |
| InChI | InChI=1S/C22H25N5O4/c1-14-7-16(11-24-9-14)31-18-8-19(27-21(28)23-4)25-12-17(18)15-5-6-20(26-10-15)30-13-22(2,3)29/h5-12,29H,13H2,1-4H3,(H2,23,25,27,28) |
| InChI Key | QUISANLDBDCMPD-UHFFFAOYSA-N |
| MDL Number | MFCD30533320 |
| Molecular Formula | C22H25N5O4 |
| Molecular Weight | 423.4650 |
| SMILES | O=C(NC1=CC(OC2=CC(C)=CN=C2)=C(C=N1)C3=CN=C(C=C3)OCC(C)(O)C)NC |
| Synonyms | AM-2394,
1442684-77-6,
AM2394,
AM 2394,
BCP18588,
EX-A1081,
AKOS030211013,
ZINC206929891,
CS-6079,
HY-100221,
A16331,
1-(6'-(2-hydroxy-2-methylpropoxy)-4-((5-methylpyridin-3-yl)oxy)-[3,3'-bipyridin]-6-yl)-3-methylurea,
N-[6'-(2-Hydroxy-2-methylpropoxy)-4-[(5-methyl-3-pyridinyl)oxy][3,3'-bipyridin]-6-yl]-N'-methylurea,
QUISANLDBDCMPD-UHFFFAOYSA-N,
AM-2349,
|
| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.473g/mol |
| Monoisotopic Mass | 423.191g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number