1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile

C18H20N2O2 — CID 82518797

IUPAC1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(-c2ccccc2OCC)ccc(C#N)c1=O
InChIInChI=1S/C18H20N2O2/c1-3-5-12-20-16(11-10-14(13-19)18(20)21)15-8-6-7-9-17(15)22-4-2/h6-11H,3-5,12H2,1-2H3
InChIKeyVSPZXNPXPDUOCG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds6

About 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile

1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82518797) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82518797
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(-c2ccccc2OCC)ccc(C#N)c1=O
InChIInChI=1S/C18H20N2O2/c1-3-5-12-20-16(11-10-14(13-19)18(20)21)15-8-6-7-9-17(15)22-4-2/h6-11H,3-5,12H2,1-2H3
InChIKeyVSPZXNPXPDUOCG-UHFFFAOYSA-N
XLogP3.59
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
3-amino-6-(2-ethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82466998
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
CID 82081579
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 82518797) is 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile is CCCCn1c(-c2ccccc2OCC)ccc(C#N)c1=O.
What is the InChIKey of 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is VSPZXNPXPDUOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-5-12-20-16(11-10-14(13-19)18(20)21)15-8-6-7-9-17(15)22-4-2/h6-11H,3-5,12H2,1-2H3.
What are the key properties of 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82518797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).