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

C18H19N3O — CID 5428078

IUPAC4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile
SMILESCCC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-4-8-17(15-9-6-5-7-10-15)20-21-14(3)11-13(2)16(12-19)18(21)22/h5-7,9-11H,4,8H2,1-3H3/b20-17+
InChIKeyICJLVNNMPBXIGO-LVZFUZTISA-N
MW293.37 g/mol
LogP3.39
Rot. Bonds4

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

4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile (PubChem CID 5428078) 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)-1-phenylbutylideneamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile
PubChem CID5428078
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile
SMILESCCC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-4-8-17(15-9-6-5-7-10-15)20-21-14(3)11-13(2)16(12-19)18(21)22/h5-7,9-11H,4,8H2,1-3H3/b20-17+
InChIKeyICJLVNNMPBXIGO-LVZFUZTISA-N
XLogP3.39
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.39
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)-1-phenylbutylideneamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile (CID 5428078) is 4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile is CCC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccccc1.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile?
The InChIKey is ICJLVNNMPBXIGO-LVZFUZTISA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-8-17(15-9-6-5-7-10-15)20-21-14(3)11-13(2)16(12-19)18(21)22/h5-7,9-11H,4,8H2,1-3H3/b20-17+.
What are the key properties of 4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.39, 4 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)-1-phenylbutylideneamino]pyridine-3-carbonitrile is sourced from PubChem (CID 5428078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).