| CAS Number | 1437794-75-6 |
| Catalog Number | AG00AQIA(AGN-PC-0WAEBV) |
| Chemical Name | N,N'-Bis(4-methoxybenzyl)pyridine-2,3-dicarboxamide |
| IUPAC Name | 2-N,3-N-bis[(4-methoxyphenyl)methyl]pyridine-2,3-dicarboxamide |
| InChI | InChI=1S/C23H23N3O4/c1-29-18-9-5-16(6-10-18)14-25-22(27)20-4-3-13-24-21(20)23(28)26-15-17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H,25,27)(H,26,28) |
| InChI Key | IARGPDKLIDYILP-UHFFFAOYSA-N |
| MDL Number | MFCD24448788 |
| Molecular Formula | C23H23N3O4 |
| Molecular Weight | 405.4464 |
| SMILES | COc1ccc(cc1)CNC(=O)c1ncccc1C(=O)NCc1ccc(cc1)OC |
| Synonyms | N,N'-BIS(4-METHOXYBENZYL)PYRIDINE-2,3-DICARBOXAMIDE,
1437794-75-6,
KM3854,
ZINC95495582,
V3291,
C23H23N3O4,
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| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.454g/mol |
| Monoisotopic Mass | 405.169g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number