1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C11H11N3O — CID 57364615

IUPAC1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCC#N)c(=O)c1C#N
InChIInChI=1S/C11H11N3O/c1-8-6-9(2)14(5-3-4-12)11(15)10(8)7-13/h6H,3,5H2,1-2H3
InChIKeyHHFKYGKUFGMCIC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.25
Rot. Bonds2

About 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 57364615) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID57364615
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCC#N)c(=O)c1C#N
InChIInChI=1S/C11H11N3O/c1-8-6-9(2)14(5-3-4-12)11(15)10(8)7-13/h6H,3,5H2,1-2H3
InChIKeyHHFKYGKUFGMCIC-UHFFFAOYSA-N
XLogP1.25
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 57364615) is 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(CCC#N)c(=O)c1C#N.
What is the InChIKey of 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HHFKYGKUFGMCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-6-9(2)14(5-3-4-12)11(15)10(8)7-13/h6H,3,5H2,1-2H3.
What are the key properties of 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 57364615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).