6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile

C18H19N3O — CID 168585718

IUPAC6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2N2CCCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H19N3O/c1-13-11-15(16(12-19)18(22)20-13)14-7-3-4-8-17(14)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,22)
InChIKeyRANJIFFJTSLEJM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.21
Rot. Bonds2

About 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 168585718) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
PubChem CID168585718
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2N2CCCCC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H19N3O/c1-13-11-15(16(12-19)18(22)20-13)14-7-3-4-8-17(14)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,22)
InChIKeyRANJIFFJTSLEJM-UHFFFAOYSA-N
XLogP3.21
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585248
4-(4-bromo-2-piperidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585621
4-(2-chloro-4-pyrrolidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584570
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
6-methyl-2-oxo-4-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449
4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587211
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
6-methyl-4-[2-(5-methylfuran-2-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587408

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile (CID 168585718) is 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2N2CCCCC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is RANJIFFJTSLEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-11-15(16(12-19)18(22)20-13)14-7-3-4-8-17(14)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,22).
What are the key properties of 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).