(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile

C15H14N2O2S — CID 123751311

IUPAC(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CC)c(=O)/c1=C\c1ccc(C)s1
InChIInChI=1S/C15H14N2O2S/c1-4-17-14(18)12(7-11-6-5-9(2)20-11)10(3)13(8-16)15(17)19/h5-7,19H,3-4H2,1-2H3/b12-7-
InChIKeyOEIZSOLNGJUUOH-GHXNOFRVSA-N
MW286.36 g/mol
LogP1.05
Rot. Bonds2

About (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile

(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile (PubChem CID 123751311) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
PubChem CID123751311
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CC)c(=O)/c1=C\c1ccc(C)s1
InChIInChI=1S/C15H14N2O2S/c1-4-17-14(18)12(7-11-6-5-9(2)20-11)10(3)13(8-16)15(17)19/h5-7,19H,3-4H2,1-2H3/b12-7-
InChIKeyOEIZSOLNGJUUOH-GHXNOFRVSA-N
XLogP1.05
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-Dimethyl-5-(5-methyl-thiophene-2-ylmethylene)-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 171855025
(E)-2-(piperidine-1-carbonyl)-3-thiophen-2-ylprop-2-enenitrile
CID 766169
(E)-3-(5-methylthiophen-2-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2427260
1,2-Dihydro-1-isopentyl-2-oxo-4-(thiophen-2-yl)pyridine-3-carbonitrile
CID 58966937
1-Butyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 69439675
1-(2-Methylpropyl)-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 69440970
2-Oxo-1-propyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 69443322
2-Oxo-1-pentan-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 69444217
5-[(1R)-1-[(3E)-3-ethylidene-2-oxopiperidin-1-yl]ethyl]thiophene-2-carbonitrile
CID 89507553
(5Z)-1-butyl-5-[(3-tert-butyl-4-cyano-5-ethylthiophen-2-yl)methylidene]-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
CID 91443765
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
CID 123140557
(5E)-5-[[5-[5-[(E)-(5-cyano-1-ethyl-6-hydroxy-4-methylidene-2-oxo-3-pyridinylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1-ethyl-2-hydroxy-4-methylidene-6-oxopyridine-3-carbonitrile
CID 123189466

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile (CID 123751311) is (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile is C=c1c(C#N)c(O)n(CC)c(=O)/c1=C\c1ccc(C)s1.
What is the InChIKey of (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
The InChIKey is OEIZSOLNGJUUOH-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-4-17-14(18)12(7-11-6-5-9(2)20-11)10(3)13(8-16)15(17)19/h5-7,19H,3-4H2,1-2H3/b12-7-.
What are the key properties of (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 123751311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).