4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

C11H14N2O2 — CID 59391333

IUPAC4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(O)c(C#N)c1=O
InChIInChI=1S/C11H14N2O2/c1-8(2)3-5-13-6-4-10(14)9(7-12)11(13)15/h4,6,8,14H,3,5H2,1-2H3
InChIKeyRCQZAWKEMTWBDT-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.47
Rot. Bonds3

About 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile

4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (PubChem CID 59391333) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
PubChem CID59391333
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(O)c(C#N)c1=O
InChIInChI=1S/C11H14N2O2/c1-8(2)3-5-13-6-4-10(14)9(7-12)11(13)15/h4,6,8,14H,3,5H2,1-2H3
InChIKeyRCQZAWKEMTWBDT-UHFFFAOYSA-N
XLogP1.47
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-(3-methylbutyl)-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 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (CID 59391333) is 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is CC(C)CCn1ccc(O)c(C#N)c1=O.
What is the InChIKey of 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is RCQZAWKEMTWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(2)3-5-13-6-4-10(14)9(7-12)11(13)15/h4,6,8,14H,3,5H2,1-2H3.
What are the key properties of 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 59391333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).