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

C12H15N3O3 — CID 13115633

IUPAC6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C12H15N3O3/c1-8-9(6-13)11(16)14-12(17)10(8)7-15-2-4-18-5-3-15/h2-5,7H2,1H3,(H2,14,16,17)
InChIKeySWDRCWYJKXAIFB-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.09
Rot. Bonds2

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

6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 13115633) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID13115633
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)[nH]c(=O)c1C#N
InChIInChI=1S/C12H15N3O3/c1-8-9(6-13)11(16)14-12(17)10(8)7-15-2-4-18-5-3-15/h2-5,7H2,1H3,(H2,14,16,17)
InChIKeySWDRCWYJKXAIFB-UHFFFAOYSA-N
XLogP0.09
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 13115633) is 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1c(CN2CCOCC2)c(O)[nH]c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SWDRCWYJKXAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-9(6-13)11(16)14-12(17)10(8)7-15-2-4-18-5-3-15/h2-5,7H2,1H3,(H2,14,16,17).
What are the key properties of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13115633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).