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

C10H12N2O — CID 595327

IUPAC5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C10H12N2O/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13)
InChIKeyHIWSARMPODIQQS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.43
Rot. Bonds1

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

5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 595327) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID595327
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C10H12N2O/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13)
InChIKeyHIWSARMPODIQQS-UHFFFAOYSA-N
XLogP1.43
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)acetate
CID 139033701
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
CID 46546542
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
ethyl 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55383051
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596424
2-butoxyethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 60541223
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-dicyclopentylpropanamide
CID 75364447
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695558
4,6-dimethyl-2-oxo-5-[3-oxo-3-(2,2,4-trimethylazetidin-1-yl)propyl]-1H-pyridine-3-carbonitrile
CID 47076345
6-ethyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10630830
N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
CID 78808431
2-phenylethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808897

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 595327) is 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HIWSARMPODIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13).
What are the key properties of 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 595327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).