4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile

C18H19N3O — CID 6858751

IUPAC4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(C)c1
InChIInChI=1S/C18H19N3O/c1-11-6-12(2)17(13(3)7-11)10-20-21-15(5)8-14(4)16(9-19)18(21)22/h6-8,10H,1-5H3/b20-10+
InChIKeyRVAWCIVCQXQAJS-KEBDBYFISA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds2

About 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile

4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile (PubChem CID 6858751) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile
PubChem CID6858751
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(C)c1
InChIInChI=1S/C18H19N3O/c1-11-6-12(2)17(13(3)7-11)10-20-21-15(5)8-14(4)16(9-19)18(21)22/h6-8,10H,1-5H3/b20-10+
InChIKeyRVAWCIVCQXQAJS-KEBDBYFISA-N
XLogP3.14
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile (CID 6858751) is 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile is Cc1cc(C)c(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(C)c1.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile?
The InChIKey is RVAWCIVCQXQAJS-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-6-12(2)17(13(3)7-11)10-20-21-15(5)8-14(4)16(9-19)18(21)22/h6-8,10H,1-5H3/b20-10+.
What are the key properties of 4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.14, 2 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-[(E)-(2,4,6-trimethylphenyl)methylideneamino]pyridine-3-carbonitrile is sourced from PubChem (CID 6858751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).