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

C12H14N2O2 — CID 84614931

IUPAC4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
SMILESCC(=O)CCn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C12H14N2O2/c1-8-6-9(2)14(5-4-10(3)15)12(16)11(8)7-13/h6H,4-5H2,1-3H3
InChIKeyQDKTYLBLWJYSQM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds3

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

4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile (PubChem CID 84614931) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
PubChem CID84614931
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
SMILESCC(=O)CCn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C12H14N2O2/c1-8-6-9(2)14(5-4-10(3)15)12(16)11(8)7-13/h6H,4-5H2,1-3H3
InChIKeyQDKTYLBLWJYSQM-UHFFFAOYSA-N
XLogP1.32
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
CID 84614937
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
1-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]butyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 172640949
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 139051000
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451
3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
CID 21264851
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile (CID 84614931) is 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile is CC(=O)CCn1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile?
The InChIKey is QDKTYLBLWJYSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-6-9(2)14(5-4-10(3)15)12(16)11(8)7-13/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.32, 3 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-(3-oxobutyl)pyridine-3-carbonitrile is sourced from PubChem (CID 84614931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).