6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile

C18H20N2O2 — CID 82099274

IUPAC6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C#N)c(=O)n2CCO)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)15-7-4-13(5-8-15)16-9-6-14(12-19)17(22)20(16)10-11-21/h4-9,21H,10-11H2,1-3H3
InChIKeyZRBRBRWNQOEHEO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.68
Rot. Bonds3

About 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile

6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099274) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099274
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2ccc(C#N)c(=O)n2CCO)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)15-7-4-13(5-8-15)16-9-6-14(12-19)17(22)20(16)10-11-21/h4-9,21H,10-11H2,1-3H3
InChIKeyZRBRBRWNQOEHEO-UHFFFAOYSA-N
XLogP2.68
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile (CID 82099274) is 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile is CC(C)(C)c1ccc(-c2ccc(C#N)c(=O)n2CCO)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is ZRBRBRWNQOEHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)15-7-4-13(5-8-15)16-9-6-14(12-19)17(22)20(16)10-11-21/h4-9,21H,10-11H2,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile?
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).