5-Acetyl-6-methyl-2-[[(3-phenyl-5-isoxazolyl)methyl]amino]-3-pyridinecarbonitrile
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Basic information
- CAS
338749-67-0- Standard SMILES
CC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C- InChIKey
CQTNLKNNUSTTPN-UHFFFAOYSA-N- Molecular formula
- C19H16N4O2
- Average molar mass
- 332.363 g/mol
- Monoisotopic mass
- 332.12732575
Names & identifiers
- Preferred name
- 5-Acetyl-6-methyl-2-[[(3-phenyl-5-isoxazolyl)methyl]amino]-3-pyridinecarbonitrile
- IUPAC
- 5-Acetyl-6-methyl-2-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carbonitrile
- English name
- 5-Acetyl-6-methyl-2-([(3-phenyl-5-isoxazolyl)methyl]amino)nicotinonitrile
- Molecular formula
- C19H16N4O2
- Molecular weight
- 332.36
Names & synonyms
5-Acetyl-6-methyl-2-([(3-phenyl-5-isoxazolyl)methyl]amino)nicotinonitrile3-Pyridinecarbonitrile, 5-acetyl-6-methyl-2-[[(3-phenyl-5-isoxazolyl)methyl]amino]-5-acetyl-6-methyl-2-{[(3-phenyl-1,2-oxazol-5-yl)methyl]amino}pyridine-3-carbonitrile
Database identifiers
- CAS
338749-67-0- PubChem CID
- 1477181
- DTXSID
DTXSID201133361- ChEMBL
CHEMBL1327040
Properties
Physicochemical properties
- Boiling point
- 589.6 · 589.6±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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