6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile

C11H14N2O2 — CID 50888661

IUPAC6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C)c(C)c(C#N)c1=O
InChIInChI=1S/C11H14N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h14H,4-5H2,1-3H3
InChIKeyKCHRDEVGYJROHL-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.45
Rot. Bonds2

About 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile

6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 50888661) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID50888661
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C)c(C)c(C#N)c1=O
InChIInChI=1S/C11H14N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h14H,4-5H2,1-3H3
InChIKeyKCHRDEVGYJROHL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile (CID 50888661) is 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is KCHRDEVGYJROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h14H,4-5H2,1-3H3.
What are the key properties of 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile?
6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 50888661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).