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

C19H21N3O2 — CID 82147185

IUPAC6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2CC2CCNCC2)c1
InChIInChI=1S/C19H21N3O2/c1-24-17-4-2-3-15(11-17)18-6-5-16(12-20)19(23)22(18)13-14-7-9-21-10-8-14/h2-6,11,14,21H,7-10,13H2,1H3
InChIKeyJJUNVDVMBXRRGO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.40
Rot. Bonds4

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

6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile (PubChem CID 82147185) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
PubChem CID82147185
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(=O)n2CC2CCNCC2)c1
InChIInChI=1S/C19H21N3O2/c1-24-17-4-2-3-15(11-17)18-6-5-16(12-20)19(23)22(18)13-14-7-9-21-10-8-14/h2-6,11,14,21H,7-10,13H2,1H3
InChIKeyJJUNVDVMBXRRGO-UHFFFAOYSA-N
XLogP2.40
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729
2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 82147177
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078
1-(1-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146801
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
CID 84682801
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 84682804
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
CID 82147223

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile (CID 82147185) is 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile is COc1cccc(-c2ccc(C#N)c(=O)n2CC2CCNCC2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is JJUNVDVMBXRRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-17-4-2-3-15(11-17)18-6-5-16(12-20)19(23)22(18)13-14-7-9-21-10-8-14/h2-6,11,14,21H,7-10,13H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82147185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).