5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C11H14N2O — CID 10330159

IUPAC5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCCc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C11H14N2O/c1-3-4-5-9-6-10(7-12)11(14)13-8(9)2/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyCRHRCPOXEGCQLY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.90
Rot. Bonds3

About 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10330159) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10330159
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCCc1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C11H14N2O/c1-3-4-5-9-6-10(7-12)11(14)13-8(9)2/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyCRHRCPOXEGCQLY-UHFFFAOYSA-N
XLogP1.90
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 10330159) is 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCCCc1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CRHRCPOXEGCQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-4-5-9-6-10(7-12)11(14)13-8(9)2/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10330159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).