N-[6-(Hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide

HCID 21782926

Notes Reactions

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Basic information

CAS: 165685-25-6
Standard SMILES: CC(C)(C)C(=O)Nc1cccc(CO)n1
InChIKey: XPPUQNFVQNRINI-UHFFFAOYSA-N
Molecular formula: C11H16N2O2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.12117776

Names & identifiers

Preferred name: N-[6-(Hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide
IUPAC: N-[6-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropanamide

Names & synonyms

165685-25-6N-[6-(Hydroxymethyl)pyridin-2-yl]-2,2-dimethylpropanamideSCHEMBL3925148DTXSID70617982XPPUQNFVQNRINI-UHFFFAOYSA-N2-Pivaloyl-2-amino-6-hydroxymethylpyridineN-(6-Hydroxymethyl-pyridin-2-yl)-2,2-dimethyl-propionamide

Database identifiers

CAS: 165685-25-6
PubChem CID: 21782926
DTXSID: DTXSID70617982
Nikkaji: J2.228.310C

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 223

Related reactions

12 records

New reaction record

HRID 88923As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104997As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135335As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 136076As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 685629As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 942505As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1454820As reactantuspto-grants-2009_01

HRID 1454827As reactantuspto-grants-2009_01

Compound notes

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