Basic information
- CAS
283167-07-7- Standard SMILES
CC(=O)N1CCC(NC(=O)c2ccncc2)CC1- InChIKey
YOVTXDXWRJZWLS-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.13207679
Names & identifiers
- Preferred name
- N-(1-Acetyl-4-piperidinyl)-4-pyridinecarboxamide
- IUPAC
- N-(1-acetylpiperidin-4-yl)pyridine-4-carboxamide
- English name
- N-(1-Acetyl-4-piperidinyl)-4-pyridinecarboxamide
- Molecular formula
- C13H17N3O2
- Molecular weight
- 247.29
Names & synonyms
283167-07-7N-(1-ACETYL-4-PIPERIDINYL)-4-PYRIDINECARBOXAMIDEN-(1-acetylpiperidin-4-yl)pyridine-4-carboxamideCHEMBL5004708SCHEMBL18230288DTXSID70431221AKOS008045751Z1021448584-Pyridinecarboxamide, N-(1-acetyl-4-piperidinyl)-
Database identifiers
- CAS
283167-07-7- PubChem CID
- 9816331
- DTXSID
DTXSID70431221- ChEMBL
CHEMBL5004708
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 528 · 528.0±40.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 12.71 · 12.71±0.20(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
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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