1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C16H16N2O — CID 957312

IUPAC1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C
InChIInChI=1S/C16H16N2O/c1-10-5-6-14(8-11(10)2)18-13(4)7-12(3)15(9-17)16(18)19/h5-8H,1-4H3
InChIKeyNUUASPPEDIMADS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.94
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 957312) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID957312
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C
InChIInChI=1S/C16H16N2O/c1-10-5-6-14(8-11(10)2)18-13(4)7-12(3)15(9-17)16(18)19/h5-8H,1-4H3
InChIKeyNUUASPPEDIMADS-UHFFFAOYSA-N
XLogP2.94
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 957312) is 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is NUUASPPEDIMADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-5-6-14(8-11(10)2)18-13(4)7-12(3)15(9-17)16(18)19/h5-8H,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 957312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).