1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile

C20H23N3O2 — CID 50887179

IUPAC1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)n(Cc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C20H23N3O2/c1-15-17(12-21)19(24)23(13-16-8-4-2-5-9-16)20(25)18(15)14-22-10-6-3-7-11-22/h2,4-5,8-9,25H,3,6-7,10-11,13-14H2,1H3
InChIKeyNBYJCQDVSHRMNT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.77
Rot. Bonds4

About 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile

1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile (PubChem CID 50887179) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
PubChem CID50887179
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)n(Cc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C20H23N3O2/c1-15-17(12-21)19(24)23(13-16-8-4-2-5-9-16)20(25)18(15)14-22-10-6-3-7-11-22/h2,4-5,8-9,25H,3,6-7,10-11,13-14H2,1H3
InChIKeyNBYJCQDVSHRMNT-UHFFFAOYSA-N
XLogP2.77
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile (CID 50887179) is 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile is Cc1c(CN2CCCCC2)c(O)n(Cc2ccccc2)c(=O)c1C#N.
What is the InChIKey of 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is NBYJCQDVSHRMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-17(12-21)19(24)23(13-16-8-4-2-5-9-16)20(25)18(15)14-22-10-6-3-7-11-22/h2,4-5,8-9,25H,3,6-7,10-11,13-14H2,1H3.
What are the key properties of 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 50887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).