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

C19H22N2O3S — CID 123318503

IUPAC(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CCCCCCO)c(=O)/c1=C\c1ccc(C)s1
InChIInChI=1S/C19H22N2O3S/c1-13-7-8-15(25-13)11-16-14(2)17(12-20)19(24)21(18(16)23)9-5-3-4-6-10-22/h7-8,11,22,24H,2-6,9-10H2,1H3/b16-11-
InChIKeyUZURUVWVYYCMRM-WJDWOHSUSA-N
MW358.46 g/mol
LogP1.59
Rot. Bonds7

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

(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile (PubChem CID 123318503) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
PubChem CID123318503
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
SMILESC=c1c(C#N)c(O)n(CCCCCCO)c(=O)/c1=C\c1ccc(C)s1
InChIInChI=1S/C19H22N2O3S/c1-13-7-8-15(25-13)11-16-14(2)17(12-20)19(24)21(18(16)23)9-5-3-4-6-10-22/h7-8,11,22,24H,2-6,9-10H2,1H3/b16-11-
InChIKeyUZURUVWVYYCMRM-WJDWOHSUSA-N
XLogP1.59
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
(5Z)-1-ethyl-2-hydroxy-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile
CID 123751311
6-Hydroxy-4-methyl-2-oxo-1-pentyl-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19115489
1-Hexyl-6-hydroxy-4-methyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19118702

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
The IUPAC name of (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile (CID 123318503) is (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile is C=c1c(C#N)c(O)n(CCCCCCO)c(=O)/c1=C\c1ccc(C)s1.
What is the InChIKey of (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
The InChIKey is UZURUVWVYYCMRM-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-7-8-15(25-13)11-16-14(2)17(12-20)19(24)21(18(16)23)9-5-3-4-6-10-22/h7-8,11,22,24H,2-6,9-10H2,1H3/b16-11-.
What are the key properties of (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile?
(5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile has a molecular weight of 358.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-hydroxy-1-(6-hydroxyhexyl)-4-methylidene-5-[(5-methylthiophen-2-yl)methylidene]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 123318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).