Basic information
- CAS
501442-06-4- Standard SMILES
Cc1ncccc1C(=O)Nc1ccnc2[nH]ncc12- InChIKey
BBJSZGZNOANDRY-UHFFFAOYSA-N- Molecular formula
- C13H11N5O
- Average molar mass
- 253.26 g/mol
- Monoisotopic mass
- 253.09635999
Names & identifiers
- Preferred name
- 2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridine-3-carboxamide
- IUPAC
- 2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridine-3-carboxamide
- English name
- 3-Pyridinecarboxamide,2-methyl-N-1H-pyrazolo[3,4-b]pyridin-4-yl-(9CI)
- Molecular formula
- C13H11N5O
- Molecular weight
- 253.26
Names & synonyms
501442-06-43-pyridinecarboxamide,2-methyl-n-1h-pyrazolo[3,4-b]pyridin-4-yl-3-Pyridinecarboxamide, 2-methyl-N-1H-pyrazolo[3,4-b]pyridin-4-yl-3-Pyridinecarboxamide,2-methyl-N-1H-pyrazolo[3,4-b]pyridin-4-yl-(9CI)
Database identifiers
- CAS
501442-06-4- PubChem CID
- 45086920
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 419.5 · 419.5±45.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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