1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C17H17N3O2 — CID 135560188

IUPAC1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O2/c1-4-16(13-5-7-14(21)8-6-13)19-20-12(3)9-11(2)15(10-18)17(20)22/h5-9,21H,4H2,1-3H3/b19-16+
InChIKeyOYCNTSJMFFANJJ-KNTRCKAVSA-N
MW295.34 g/mol
LogP2.70
Rot. Bonds3

About 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 135560188) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID135560188
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O2/c1-4-16(13-5-7-14(21)8-6-13)19-20-12(3)9-11(2)15(10-18)17(20)22/h5-9,21H,4H2,1-3H3/b19-16+
InChIKeyOYCNTSJMFFANJJ-KNTRCKAVSA-N
XLogP2.70
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-oxo-1-[(E)-1-phenylbutylideneamino]pyridine-3-carbonitrile
CID 5428078
1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 717796
1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5428067
1-[1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 968418
1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5395416
1-[(E)-(5-bromothiophen-2-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 6873717
4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5395413
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5397001
1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 135956247
1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 136912710
1-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 6374088
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 135560188) is 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is CC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(O)cc1.
What is the InChIKey of 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is OYCNTSJMFFANJJ-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-16(13-5-7-14(21)8-6-13)19-20-12(3)9-11(2)15(10-18)17(20)22/h5-9,21H,4H2,1-3H3/b19-16+.
What are the key properties of 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135560188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).