5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile

C9H10N2O — CID 5325283

IUPAC5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile
SMILESCCc1cc(C#N)cn(C)c1=O
InChIInChI=1S/C9H10N2O/c1-3-8-4-7(5-10)6-11(2)9(8)12/h4,6H,3H2,1-2H3
InChIKeyOEEJCBUGFYCAJT-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.82
Rot. Bonds1

About 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile

5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 5325283) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile
PubChem CID5325283
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile
SMILESCCc1cc(C#N)cn(C)c1=O
InChIInChI=1S/C9H10N2O/c1-3-8-4-7(5-10)6-11(2)9(8)12/h4,6H,3H2,1-2H3
InChIKeyOEEJCBUGFYCAJT-UHFFFAOYSA-N
XLogP0.82
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarbonitrile
CID 69851
(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
CID 155541424
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
5-Methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 56972670
3-Cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinepropanenitrile
CID 57364615
1,4-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12342652
6-Hydroxy-1,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 117918
1-Methyl-2-oxo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 118949068
5-Fluoro-1-methyl-3-propan-2-ylpyridin-2-one
CID 129075338
3-Ethyl-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 144581535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile (CID 5325283) is 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile is CCc1cc(C#N)cn(C)c1=O.
What is the InChIKey of 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is OEEJCBUGFYCAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-8-4-7(5-10)6-11(2)9(8)12/h4,6H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile?
5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5325283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).