6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile

C12H14N2O3 — CID 19115005

IUPAC6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)C)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C12H14N2O3/c1-6(2)10(15)9-7(3)8(5-13)11(16)14(4)12(9)17/h6,17H,1-4H3
InChIKeyLBPIGTFJZNTWID-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.11
Rot. Bonds2

About 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19115005) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19115005
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)C)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C12H14N2O3/c1-6(2)10(15)9-7(3)8(5-13)11(16)14(4)12(9)17/h6,17H,1-4H3
InChIKeyLBPIGTFJZNTWID-UHFFFAOYSA-N
XLogP1.11
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile (CID 19115005) is 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)C(C)C)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is LBPIGTFJZNTWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-6(2)10(15)9-7(3)8(5-13)11(16)14(4)12(9)17/h6,17H,1-4H3.
What are the key properties of 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 234.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).