6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C12H16N2O4 — CID 21022832

IUPAC6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CCOCCO)c(=O)c1C#N
InChIInChI=1S/C12H16N2O4/c1-8-9(2)11(16)14(3-5-18-6-4-15)12(17)10(8)7-13/h15-16H,3-6H2,1-2H3
InChIKeySVLDWYVIFOYJAR-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.05
Rot. Bonds5

About 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile

6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 21022832) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID21022832
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CCOCCO)c(=O)c1C#N
InChIInChI=1S/C12H16N2O4/c1-8-9(2)11(16)14(3-5-18-6-4-15)12(17)10(8)7-13/h15-16H,3-6H2,1-2H3
InChIKeySVLDWYVIFOYJAR-UHFFFAOYSA-N
XLogP0.05
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 21022832) is 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(O)n(CCOCCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is SVLDWYVIFOYJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-9(2)11(16)14(3-5-18-6-4-15)12(17)10(8)7-13/h15-16H,3-6H2,1-2H3.
What are the key properties of 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 252.27 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 21022832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).