6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile

C17H18N2O2 — CID 82520500

IUPAC6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
SMILESCCc1ccc(-c2ccc(C#N)c(=O)n2CCOC)cc1
InChIInChI=1S/C17H18N2O2/c1-3-13-4-6-14(7-5-13)16-9-8-15(12-18)17(20)19(16)10-11-21-2/h4-9H,3,10-11H2,1-2H3
InChIKeyGNKXSGDMMUFQFT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.60
Rot. Bonds5

About 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile

6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82520500) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
PubChem CID82520500
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
SMILESCCc1ccc(-c2ccc(C#N)c(=O)n2CCOC)cc1
InChIInChI=1S/C17H18N2O2/c1-3-13-4-6-14(7-5-13)16-9-8-15(12-18)17(20)19(16)10-11-21-2/h4-9H,3,10-11H2,1-2H3
InChIKeyGNKXSGDMMUFQFT-UHFFFAOYSA-N
XLogP2.60
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 82099104
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile (CID 82520500) is 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile is CCc1ccc(-c2ccc(C#N)c(=O)n2CCOC)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is GNKXSGDMMUFQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-13-4-6-14(7-5-13)16-9-8-15(12-18)17(20)19(16)10-11-21-2/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile?
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82520500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).