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

C16H23N3O3 — CID 650942

IUPAC6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C16H23N3O3/c1-12-13(10-17)15(21)19(8-5-9-20)16(22)14(12)11-18-6-3-2-4-7-18/h20,22H,2-9,11H2,1H3
InChIKeySUHNLTKVHGUCDT-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.10
Rot. Bonds5

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

6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile (PubChem CID 650942) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
PubChem CID650942
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N
InChIInChI=1S/C16H23N3O3/c1-12-13(10-17)15(21)19(8-5-9-20)16(22)14(12)11-18-6-3-2-4-7-18/h20,22H,2-9,11H2,1H3
InChIKeySUHNLTKVHGUCDT-UHFFFAOYSA-N
XLogP1.10
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile (CID 650942) is 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile is Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is SUHNLTKVHGUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-13(10-17)15(21)19(8-5-9-20)16(22)14(12)11-18-6-3-2-4-7-18/h20,22H,2-9,11H2,1H3.
What are the key properties of 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 650942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).