4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

C11H14N2O — CID 82111825

IUPAC4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCc1cn(C(C)C)c(=O)c(C#N)c1C
InChIInChI=1S/C11H14N2O/c1-7(2)13-6-8(3)9(4)10(5-12)11(13)14/h6-7H,1-4H3
InChIKeyVAMIDOBRCOSPEJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.92
Rot. Bonds1

About 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (PubChem CID 82111825) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
PubChem CID82111825
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCc1cn(C(C)C)c(=O)c(C#N)c1C
InChIInChI=1S/C11H14N2O/c1-7(2)13-6-8(3)9(4)10(5-12)11(13)14/h6-7H,1-4H3
InChIKeyVAMIDOBRCOSPEJ-UHFFFAOYSA-N
XLogP1.92
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124754
4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82119679
5-methyl-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 21186033
1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282119
4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 82117080
1-(1,1-dioxothiolan-3-yl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82122801
1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120457
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 94282088
5-formyl-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 123919152
7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115030028
5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 70861451

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (CID 82111825) is 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is Cc1cn(C(C)C)c(=O)c(C#N)c1C.
What is the InChIKey of 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is VAMIDOBRCOSPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)13-6-8(3)9(4)10(5-12)11(13)14/h6-7H,1-4H3.
What are the key properties of 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82111825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).