4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile

C14H17N3O2 — CID 6463590

IUPAC4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile
SMILESCc1cc(C)n(CC(=O)N2CCCC2)c(=O)c1C#N
InChIInChI=1S/C14H17N3O2/c1-10-7-11(2)17(14(19)12(10)8-15)9-13(18)16-5-3-4-6-16/h7H,3-6,9H2,1-2H3
InChIKeyQMBSRJPONGHJSW-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds2

About 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile

4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile (PubChem CID 6463590) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile
PubChem CID6463590
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile
SMILESCc1cc(C)n(CC(=O)N2CCCC2)c(=O)c1C#N
InChIInChI=1S/C14H17N3O2/c1-10-7-11(2)17(14(19)12(10)8-15)9-13(18)16-5-3-4-6-16/h7H,3-6,9H2,1-2H3
InChIKeyQMBSRJPONGHJSW-UHFFFAOYSA-N
XLogP0.96
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile (CID 6463590) is 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile is Cc1cc(C)n(CC(=O)N2CCCC2)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile?
The InChIKey is QMBSRJPONGHJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-7-11(2)17(14(19)12(10)8-15)9-13(18)16-5-3-4-6-16/h7H,3-6,9H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 6463590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).