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

C19H22N2O2 — CID 82518322

IUPAC6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCCOc1cccc(-c2ccc(C#N)c(=O)n2CCC(C)C)c1
InChIInChI=1S/C19H22N2O2/c1-4-23-17-7-5-6-15(12-17)18-9-8-16(13-20)19(22)21(18)11-10-14(2)3/h5-9,12,14H,4,10-11H2,1-3H3
InChIKeyUBNSUTMIESFICP-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.83
Rot. Bonds6

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

6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82518322) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
PubChem CID82518322
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
SMILESCCOc1cccc(-c2ccc(C#N)c(=O)n2CCC(C)C)c1
InChIInChI=1S/C19H22N2O2/c1-4-23-17-7-5-6-15(12-17)18-9-8-16(13-20)19(22)21(18)11-10-14(2)3/h5-9,12,14H,4,10-11H2,1-3H3
InChIKeyUBNSUTMIESFICP-UHFFFAOYSA-N
XLogP3.83
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
6-tert-butyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82523581
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099228
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile (CID 82518322) is 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is CCOc1cccc(-c2ccc(C#N)c(=O)n2CCC(C)C)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is UBNSUTMIESFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-23-17-7-5-6-15(12-17)18-9-8-16(13-20)19(22)21(18)11-10-14(2)3/h5-9,12,14H,4,10-11H2,1-3H3.
What are the key properties of 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile?
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82518322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).