6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile

C18H18ClN3O — CID 82147223

IUPAC6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)n(CC2CCCNC2)c1=O
InChIInChI=1S/C18H18ClN3O/c19-16-6-3-14(4-7-16)17-8-5-15(10-20)18(23)22(17)12-13-2-1-9-21-11-13/h3-8,13,21H,1-2,9,11-12H2
InChIKeyOMDHYAUCVCPALC-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.04
Rot. Bonds3

About 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile (PubChem CID 82147223) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
PubChem CID82147223
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)n(CC2CCCNC2)c1=O
InChIInChI=1S/C18H18ClN3O/c19-16-6-3-14(4-7-16)17-8-5-15(10-20)18(23)22(17)12-13-2-1-9-21-11-13/h3-8,13,21H,1-2,9,11-12H2
InChIKeyOMDHYAUCVCPALC-UHFFFAOYSA-N
XLogP3.04
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
CID 84682801
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
6-(4-chlorophenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099168
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 82147177
4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
CID 55247842
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
6-(4-fluorophenyl)-2-oxo-1-(2-piperidin-2-ylethyl)pyridine-3-carbonitrile
CID 82147336
6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 23631195
5-chloro-2-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644235
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 82151139
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile (CID 82147223) is 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(Cl)cc2)n(CC2CCCNC2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is OMDHYAUCVCPALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-16-6-3-14(4-7-16)17-8-5-15(10-20)18(23)22(17)12-13-2-1-9-21-11-13/h3-8,13,21H,1-2,9,11-12H2.
What are the key properties of 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 327.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82147223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).