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

C10H12N2O2 — CID 144909396

IUPAC1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCCN1C(=O)C(C#N)=C(C)C(C)C1=O
InChIInChI=1S/C10H12N2O2/c1-4-12-9(13)7(3)6(2)8(5-11)10(12)14/h7H,4H2,1-3H3
InChIKeyXBMRPVOLBFPSNA-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds1

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

1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile (PubChem CID 144909396) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
PubChem CID144909396
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile
SMILESCCN1C(=O)C(C#N)=C(C)C(C)C1=O
InChIInChI=1S/C10H12N2O2/c1-4-12-9(13)7(3)6(2)8(5-11)10(12)14/h7H,4H2,1-3H3
InChIKeyXBMRPVOLBFPSNA-UHFFFAOYSA-N
XLogP0.85
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile
CID 15332744
1-methyl-2,6-dioxo-4-(trifluoromethyl)-3H-pyridine-5-carbonitrile
CID 54461668
5-Ethylidene-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 171037472
sodium 1,4-dimethyl-2,6-dioxo-3H-pyridin-3-ide-5-carbonitrile
CID 91980030
1,3,4,5-tetramethyl-3H-pyridine-2,6-dione
CID 18725077
1-Butyl-5-cyano-4-methylpyridine-2,3,6-trione
CID 20536090
5-Cyano-1-ethyl-4-methylpyridine-2,3,6-trione
CID 20536091
1,4,5-Trimethyl-2,6(1H,3H)-pyridinedione
CID 21340076
1,4-dimethyl-2,6-dioxo-3H-pyridine-3-carbonitrile
CID 22494800
1-Butyl-4-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 23558463
4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile
CID 50885397
1-Ethyl-4-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 59034206

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The IUPAC name of 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile (CID 144909396) is 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The canonical SMILES for 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile is CCN1C(=O)C(C#N)=C(C)C(C)C1=O.
What is the InChIKey of 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
The InChIKey is XBMRPVOLBFPSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-4-12-9(13)7(3)6(2)8(5-11)10(12)14/h7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile?
1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethyl-2,6-dioxo-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 144909396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).