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

C13H17N3O2 — CID 13115632

IUPAC6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C13H17N3O2/c1-9-10(7-14)12(17)15-13(18)11(9)8-16-5-3-2-4-6-16/h2-6,8H2,1H3,(H2,15,17,18)
InChIKeyRZIYSQNITCXTAA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds2

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

6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile (PubChem CID 13115632) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile
PubChem CID13115632
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C13H17N3O2/c1-9-10(7-14)12(17)15-13(18)11(9)8-16-5-3-2-4-6-16/h2-6,8H2,1H3,(H2,15,17,18)
InChIKeyRZIYSQNITCXTAA-UHFFFAOYSA-N
XLogP1.25
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile (CID 13115632) is 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile is Cc1c(CN2CCCCC2)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is RZIYSQNITCXTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-10(7-14)12(17)15-13(18)11(9)8-16-5-3-2-4-6-16/h2-6,8H2,1H3,(H2,15,17,18).
What are the key properties of 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile?
6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13115632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).