N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide

C10H14N2O2 — CID 10512053

IUPACN-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
SMILES[2H]c1ccc/c(=N\C(=O)C(C)(C)C)n1O
InChIInChI=1S/C10H14N2O2/c1-10(2,3)9(13)11-8-6-4-5-7-12(8)14/h4-7,14H,1-3H3/b11-8+/i7D
InChIKeyHFYMECACXRAWNU-IOMZFSQSSA-N
MW195.24 g/mol
LogP1.20
Rot. Bonds

About N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide

N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide (PubChem CID 10512053) has the molecular formula C10H14N2O2 and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
PubChem CID10512053
Molecular FormulaC10H14N2O2
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
SMILES[2H]c1ccc/c(=N\C(=O)C(C)(C)C)n1O
InChIInChI=1S/C10H14N2O2/c1-10(2,3)9(13)11-8-6-4-5-7-12(8)14/h4-7,14H,1-3H3/b11-8+/i7D
InChIKeyHFYMECACXRAWNU-IOMZFSQSSA-N
XLogP1.20
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.20
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-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide (CID 10512053) is N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide is [2H]c1ccc/c(=N\C(=O)C(C)(C)C)n1O.
What is the InChIKey of N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The InChIKey is HFYMECACXRAWNU-IOMZFSQSSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,3)9(13)11-8-6-4-5-7-12(8)14/h4-7,14H,1-3H3/b11-8+/i7D.
What are the key properties of N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide has a molecular weight of 195.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 10512053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).