1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile

C8H8N2O2 — CID 15332744

IUPAC1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)C1
InChIInChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3H2,1-2H3
InChIKeyIDZOJEUXQIGYHV-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.22
Rot. Bonds

About 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile

1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile (PubChem CID 15332744) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
PubChem CID15332744
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(=O)C1
InChIInChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3H2,1-2H3
InChIKeyIDZOJEUXQIGYHV-UHFFFAOYSA-N
XLogP0.22
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The IUPAC name of 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile (CID 15332744) is 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The canonical SMILES for 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile is CC1=C(C#N)C(=O)N(C)C(=O)C1.
What is the InChIKey of 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The InChIKey is IDZOJEUXQIGYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3H2,1-2H3.
What are the key properties of 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 15332744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).