Basic information
- CAS
309760-28-9- Standard SMILES
Cc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2cccnc2)n1- InChIKey
YWQVBESSYLICRX-UHFFFAOYSA-N- Molecular formula
- C22H18N6O
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.15420922
Names & identifiers
- Preferred name
- N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide
- IUPAC
- N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
Names & synonyms
n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamideN-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)pyridine-3-carboxamideN-(4-Methyl-3-((4-(3-Pyridinyl)-2-Pyrimidinyl)Amino)Phenyl)-3-PyridinecarboxamideN-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)pyridine-3-carboxamideRefChem:827795WGB-BC15WGB-BC-15Q8SP783P3P309760-28-9UNII-Q8SP783P3P3-Pyridinecarboxamide, N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-N-(4-Methyl-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)phenyl)pyridine-3-carboxamide
Show more names
N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}pyridine-3-carboxamidePRCorb3027486SCHEMBL2004455DB03878EBC-381061PD007160NS00070463
Database identifiers
- CAS
309760-28-9- PubChem CID
- 4327
- UNII
- Q8SP783P3P
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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