| CAS Number | 338773-47-0 |
| Catalog Number | AG00IO9P(AGN-PC-0WAS7B) |
| Chemical Name | 4-(Dimethylamino)-2-(4-methoxyanilino)nicotinonitrile |
| IUPAC Name | 4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile |
| InChI | InChI=1S/C15H16N4O/c1-19(2)14-8-9-17-15(13(14)10-16)18-11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,17,18) |
| InChI Key | UMTMPBVITSBDSD-UHFFFAOYSA-N |
| MDL Number | MFCD01314685 |
| Molecular Formula | C15H16N4O |
| Molecular Weight | 268.3137 |
| SMILES | O(C2(=CC=C(NC1(=NC=CC(=C1C#N)N(C)C))C=C2))C |
| Synonyms | 4-(dimethylamino)-2-(4-methoxyanilino)nicotinonitrile,
338773-47-0,
4-(dimethylamino)-2-[(4-methoxyphenyl)amino]pyridine-3-carbonitrile,
AC1LST49,
Oprea1_506662,
MLS000694958,
CHEMBL1545340,
KS-00001UJM,
HMS2645F07,
MFCD01314685,
ZINC36382153,
AKOS005085335,
MCULE-9355401378,
SMR000334826,
2K-056,
4-(dimethylamino)-2-(4-methoxyanilino)pyridine-3-carbonitrile,
CID1470943,
4-dimethylamino-2-[(4-methoxyphenyl)amino]pyridine-3-carbonitrile,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.32g/mol |
| Monoisotopic Mass | 268.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number