3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C12H18N2O2 — CID 69122207

IUPAC3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(O)c1cccc(CC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H18N2O2/c1-8(15)10-6-4-5-9(14-10)7-12(2,3)11(13)16/h4-6,8,15H,7H2,1-3H3,(H2,13,16)
InChIKeyLMBWHZCAEFLOJC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds4

About 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide

3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 69122207) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID69122207
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(O)c1cccc(CC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H18N2O2/c1-8(15)10-6-4-5-9(14-10)7-12(2,3)11(13)16/h4-6,8,15H,7H2,1-3H3,(H2,13,16)
InChIKeyLMBWHZCAEFLOJC-UHFFFAOYSA-N
XLogP1.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 69122207) is 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(O)c1cccc(CC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is LMBWHZCAEFLOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(15)10-6-4-5-9(14-10)7-12(2,3)11(13)16/h4-6,8,15H,7H2,1-3H3,(H2,13,16).
What are the key properties of 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 69122207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).