N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide

C12H18N2O2 — CID 59272518

IUPACN-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
SMILESCCc1cc/c(=N\C(=O)C(C)(C)C)n(O)c1
InChIInChI=1S/C12H18N2O2/c1-5-9-6-7-10(14(16)8-9)13-11(15)12(2,3)4/h6-8,16H,5H2,1-4H3/b13-10+
InChIKeyYIWRFPCYCNJMNX-JLHYYAGUSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds1

About N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide

N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide (PubChem CID 59272518) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
PubChem CID59272518
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
SMILESCCc1cc/c(=N\C(=O)C(C)(C)C)n(O)c1
InChIInChI=1S/C12H18N2O2/c1-5-9-6-7-10(14(16)8-9)13-11(15)12(2,3)4/h6-8,16H,5H2,1-4H3/b13-10+
InChIKeyYIWRFPCYCNJMNX-JLHYYAGUSA-N
XLogP1.76
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide (CID 59272518) is N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide is CCc1cc/c(=N\C(=O)C(C)(C)C)n(O)c1.
What is the InChIKey of N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The InChIKey is YIWRFPCYCNJMNX-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-9-6-7-10(14(16)8-9)13-11(15)12(2,3)4/h6-8,16H,5H2,1-4H3/b13-10+.
What are the key properties of N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 59272518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).