2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile

C20H22N2O — CID 82520507

IUPAC2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCCc1ccc(-c2ccc(CC#N)c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C20H22N2O/c1-2-15-7-9-16(10-8-15)19-12-11-17(13-14-21)20(23)22(19)18-5-3-4-6-18/h7-12,18H,2-6,13H2,1H3
InChIKeyABGDUAUKGIBOQX-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile

2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82520507) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82520507
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile
SMILESCCc1ccc(-c2ccc(CC#N)c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C20H22N2O/c1-2-15-7-9-16(10-8-15)19-12-11-17(13-14-21)20(23)22(19)18-5-3-4-6-18/h7-12,18H,2-6,13H2,1H3
InChIKeyABGDUAUKGIBOQX-UHFFFAOYSA-N
XLogP4.26
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclopropyl-6-(4-ethoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82517897
2-[1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)-3-pyridinyl]acetonitrile
CID 82520396
1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole
CID 82088269
1-cyclopropyl-6-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82519547
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetonitrile
CID 82522250
3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82519443
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950
1-cyclopropyl-6-(4-fluorophenyl)-3-(propylaminomethyl)pyridin-2-one
CID 82519544
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
3-amino-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82466930
3-amino-1-cyclohexyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82466859
6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520637

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile (CID 82520507) is 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile is CCc1ccc(-c2ccc(CC#N)c(=O)n2C2CCCC2)cc1.
What is the InChIKey of 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is ABGDUAUKGIBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-15-7-9-16(10-8-15)19-12-11-17(13-14-21)20(23)22(19)18-5-3-4-6-18/h7-12,18H,2-6,13H2,1H3.
What are the key properties of 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile?
2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 306.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-6-(4-ethylphenyl)-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82520507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).