1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C16H15N3O3 — CID 135418719

IUPAC1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1O
InChIInChI=1S/C16H15N3O3/c1-10-7-11(2)19(16(21)13(10)8-17)18-9-12-5-4-6-14(22-3)15(12)20/h4-7,9,20H,1-3H3/b18-9+
InChIKeyJQGCCGVDXXAPGT-GIJQJNRQSA-N
MW297.31 g/mol
LogP1.93
Rot. Bonds3

About 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 135418719) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID135418719
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1O
InChIInChI=1S/C16H15N3O3/c1-10-7-11(2)19(16(21)13(10)8-17)18-9-12-5-4-6-14(22-3)15(12)20/h4-7,9,20H,1-3H3/b18-9+
InChIKeyJQGCCGVDXXAPGT-GIJQJNRQSA-N
XLogP1.93
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 135418719) is 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is COc1cccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1O.
What is the InChIKey of 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JQGCCGVDXXAPGT-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-7-11(2)19(16(21)13(10)8-17)18-9-12-5-4-6-14(22-3)15(12)20/h4-7,9,20H,1-3H3/b18-9+.
What are the key properties of 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 297.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135418719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).