N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
Basic information
- CAS
77694-36-1- Standard SMILES
CC1(C)CC(NC(=O)c2ccncc2)C(=O)O1- InChIKey
OHAKBSQJLKNLOY-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
- IUPAC
- N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamide
Names & synonyms
77694-36-1N-(5,5-dimethyl-2-oxooxolan-3-yl)pyridine-4-carboxamideDTXSID30998901RefChem:1091336DTXCID701425882N-(5,5-Dimethyl-2-oxotetrahydro-3-furyl)isonicotinamideBRN 5537512ISONICOTINAMIDE, N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-
Database identifiers
- CAS
77694-36-1- PubChem CID
- 53722
- DTXSID
DTXSID30998901- Nikkaji
- J68.635B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
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Compound notes
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