N-[3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3,5-dimethylbenzamide
Basic information
- CAS
846592-12-9- Standard SMILES
COCCCn1c(=NC(=O)c2cc(C)cc(C)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21- InChIKey
UOMYNQOOCOINBD-UHFFFAOYSA-N- Molecular formula
- C26H25N5O3
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- N-[3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3,5-dimethylbenzamide
- IUPAC
- N-[5-cyano-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,5-dimethylbenzamide
- English name
- N-[3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3,5-dimethylbenzamide
- Molecular formula
- C26H25N5O3
- Molecular weight
- 455.51
Names & synonyms
846592-12-9N-[3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3,5-dimethylbenzamideSTK872409AKOS001147143AKOS030665910N-[5-Cyano-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,5-dimethylbenzamideAO-022/43455272Z118332684(E)-N-(3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,5-dimethylbenzamideN-[(2E)-3-cyano-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,5-dimethylbenzamideBenzamide, N-[3-cyano-1,5-dihydro-1-(3-methoxypropyl)-10-methyl-5-oxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,5-dimethyl-
Database identifiers
- CAS
846592-12-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 608.1 · 608.1±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- -0.6 · -0.60±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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