1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C11H14N2O2 — CID 50888810

IUPAC1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCc1c(C)c(C#N)c(=O)n(CC)c1O
InChIInChI=1S/C11H14N2O2/c1-4-8-7(3)9(6-12)11(15)13(5-2)10(8)14/h14H,4-5H2,1-3H3
InChIKeyLCKYOZKJMYMXMR-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.32
Rot. Bonds2

About 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 50888810) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID50888810
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCc1c(C)c(C#N)c(=O)n(CC)c1O
InChIInChI=1S/C11H14N2O2/c1-4-8-7(3)9(6-12)11(15)13(5-2)10(8)14/h14H,4-5H2,1-3H3
InChIKeyLCKYOZKJMYMXMR-UHFFFAOYSA-N
XLogP1.32
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 50888810) is 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCc1c(C)c(C#N)c(=O)n(CC)c1O.
What is the InChIKey of 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is LCKYOZKJMYMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-8-7(3)9(6-12)11(15)13(5-2)10(8)14/h14H,4-5H2,1-3H3.
What are the key properties of 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 50888810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).