N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide

C9H12N2O2 — CID 67695654

IUPACN-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide
SMILESCC(=O)/N=c1\ccn(O)c(C)c1C
InChIInChI=1S/C9H12N2O2/c1-6-7(2)11(13)5-4-9(6)10-8(3)12/h4-5,13H,1-3H3/b10-9+
InChIKeyFIUAWVYQLJXMCD-MDZDMXLPSA-N
MW180.21 g/mol
LogP0.79
Rot. Bonds

About N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide

N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide (PubChem CID 67695654) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide
PubChem CID67695654
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide
SMILESCC(=O)/N=c1\ccn(O)c(C)c1C
InChIInChI=1S/C9H12N2O2/c1-6-7(2)11(13)5-4-9(6)10-8(3)12/h4-5,13H,1-3H3/b10-9+
InChIKeyFIUAWVYQLJXMCD-MDZDMXLPSA-N
XLogP0.79
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.79
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-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide?
The IUPAC name of N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide (CID 67695654) is N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide.
What is the SMILES notation for N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide?
The canonical SMILES for N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide is CC(=O)/N=c1\ccn(O)c(C)c1C.
What is the InChIKey of N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide?
The InChIKey is FIUAWVYQLJXMCD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-7(2)11(13)5-4-9(6)10-8(3)12/h4-5,13H,1-3H3/b10-9+.
What are the key properties of N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide?
N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,3-dimethyl-4-pyridinylidene)acetamide is sourced from PubChem (CID 67695654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).