1-[(3-{[(Pyridin-2-yl)amino]methyl}phenyl)methyl]piperidine-3-carboxamide
Basic information
- CAS
1385317-11-2- Standard SMILES
NC(=O)C1CCCN(Cc2cccc(CNc3ccccn3)c2)C1- InChIKey
HBKHEEPGOPDHEE-UHFFFAOYSA-N- Molecular formula
- C19H24N4O
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1950114
Names & identifiers
- Preferred name
- 1-[(3-{[(Pyridin-2-yl)amino]methyl}phenyl)methyl]piperidine-3-carboxamide
- IUPAC
- 1-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
Names & synonyms
1-[(3-{[(pyridin-2-yl)amino]methyl}phenyl)methyl]piperidine-3-carboxamide1385317-11-2AKOS016916093Z1155808566
Database identifiers
- CAS
1385317-11-2- PubChem CID
- 72020638
- EC Number
- 171-059-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
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Compound notes
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