6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile

C19H20FN3O — CID 82147336

IUPAC6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(CCC2CCCCN2)c1=O
InChIInChI=1S/C19H20FN3O/c20-16-7-4-14(5-8-16)18-9-6-15(13-21)19(24)23(18)12-10-17-3-1-2-11-22-17/h4-9,17,22H,1-3,10-12H2
InChIKeyWQAPMBAZGAPTQB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.06
Rot. Bonds4

About 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile

6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile (PubChem CID 82147336) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
PubChem CID82147336
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(CCC2CCCCN2)c1=O
InChIInChI=1S/C19H20FN3O/c20-16-7-4-14(5-8-16)18-9-6-15(13-21)19(24)23(18)12-10-17-3-1-2-11-22-17/h4-9,17,22H,1-3,10-12H2
InChIKeyWQAPMBAZGAPTQB-UHFFFAOYSA-N
XLogP3.06
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-(4-aminobutyl)-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82146528
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
CID 82147223
6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 61345345
2-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-4-fluorobenzonitrile
CID 106632757
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82099097
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile (CID 82147336) is 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)n(CCC2CCCCN2)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile?
The InChIKey is WQAPMBAZGAPTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-16-7-4-14(5-8-16)18-9-6-15(13-21)19(24)23(18)12-10-17-3-1-2-11-22-17/h4-9,17,22H,1-3,10-12H2.
What are the key properties of 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile?
6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile has a molecular weight of 325.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82147336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).