1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C15H14N2O3 — CID 82147126

IUPAC1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2CCO)c1
InChIInChI=1S/C15H14N2O3/c1-20-13-4-2-3-11(9-13)14-6-5-12(10-16)15(19)17(14)7-8-18/h2-6,9,18H,7-8H2,1H3
InChIKeySFUMXFICTQFRMU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.39
Rot. Bonds4

About 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82147126) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82147126
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2CCO)c1
InChIInChI=1S/C15H14N2O3/c1-20-13-4-2-3-11(9-13)14-6-5-12(10-16)15(19)17(14)7-8-18/h2-6,9,18H,7-8H2,1H3
InChIKeySFUMXFICTQFRMU-UHFFFAOYSA-N
XLogP1.39
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
1-(3-hydroxypropyl)-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099234
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 82147126) is 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is COc1cccc(-c2ccc(C#N)c(=O)n2CCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is SFUMXFICTQFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-13-4-2-3-11(9-13)14-6-5-12(10-16)15(19)17(14)7-8-18/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82147126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).