4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid

C15H24N2O4 — CID 82217705

IUPAC4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid
SMILESCCN(CC)Cc1c(O)c(=O)cc(C)n1CCCC(=O)O
InChIInChI=1S/C15H24N2O4/c1-4-16(5-2)10-12-15(21)13(18)9-11(3)17(12)8-6-7-14(19)20/h9,21H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyDYDFPWZJOKHKFD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.57
Rot. Bonds8

About 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid

4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid (PubChem CID 82217705) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid
PubChem CID82217705
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid
SMILESCCN(CC)Cc1c(O)c(=O)cc(C)n1CCCC(=O)O
InChIInChI=1S/C15H24N2O4/c1-4-16(5-2)10-12-15(21)13(18)9-11(3)17(12)8-6-7-14(19)20/h9,21H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyDYDFPWZJOKHKFD-UHFFFAOYSA-N
XLogP1.57
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid 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 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid (CID 82217705) is 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid is CCN(CC)Cc1c(O)c(=O)cc(C)n1CCCC(=O)O.
What is the InChIKey of 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
The InChIKey is DYDFPWZJOKHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-16(5-2)10-12-15(21)13(18)9-11(3)17(12)8-6-7-14(19)20/h9,21H,4-8,10H2,1-3H3,(H,19,20).
What are the key properties of 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid?
4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)-3-hydroxy-6-methyl-4-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82217705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).