3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
Basic information
- CAS
444150-04-3- Standard SMILES
Cc1cc(C)c2c(N)c(C(=O)NCCc3ccccc3)sc2n1- InChIKey
AIISJPXSPTYBDO-UHFFFAOYSA-N- Molecular formula
- C18H19N3OS
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.12488341
Names & identifiers
- Preferred name
- 3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
- English name
- 3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
- Molecular formula
- C18H19N3OS
- Molecular weight
- 325.43
Names & synonyms
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamideZINC947713-Amino-4,6-dimethyl-N-phenethylthieno[2,3-b]pyridine-2-carboxamideMFCD01809304444150-04-3ZINC00094771Oprea1_451521SCHEMBL428586AIISJPXSPTYBDO-UHFFFAOYSA-NSTK029793AKOS001151646NCGC01448794-01
Show more names
Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-4,6-dimethyl-N-(2-phenylethyl)-
ZINC000000094771ST50325653Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCCc1ccccc1AF-399/41083910SR-01000284673SR-01000284673-1Z57959224CC1=CC(=NC2=C1C(=C(S2)C(=O)NCCC3=CC=CC=C3)N)C
Database identifiers
- CAS
444150-04-3- PubChem CID
- 707443
- EC Number
- 124-734-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 579.3 · 579.3±50.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 13.42 · 13.42±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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