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

C12H17N3O2 — CID 13115630

IUPAC5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCN(CC)Cc1c(O)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C12H17N3O2/c1-4-15(5-2)7-10-8(3)9(6-13)11(16)14-12(10)17/h4-5,7H2,1-3H3,(H2,14,16,17)
InChIKeyZSOUIKFBDFZHFG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.10
Rot. Bonds4

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

5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 13115630) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID13115630
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCN(CC)Cc1c(O)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C12H17N3O2/c1-4-15(5-2)7-10-8(3)9(6-13)11(16)14-12(10)17/h4-5,7H2,1-3H3,(H2,14,16,17)
InChIKeyZSOUIKFBDFZHFG-UHFFFAOYSA-N
XLogP1.10
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(diethylaminomethyl)-6-hydroxy-4-methyl-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 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 13115630) is 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCN(CC)Cc1c(O)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZSOUIKFBDFZHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-15(5-2)7-10-8(3)9(6-13)11(16)14-12(10)17/h4-5,7H2,1-3H3,(H2,14,16,17).
What are the key properties of 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13115630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).