4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

C13H20N2O3 — CID 81075122

IUPAC4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCOCCN(C)c1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-5-18-7-6-15(4)11-8-9(2)14-10(3)12(11)13(16)17/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyUQQDUDUCELGMLP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.87
Rot. Bonds6

About 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81075122) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81075122
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCOCCN(C)c1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-5-18-7-6-15(4)11-8-9(2)14-10(3)12(11)13(16)17/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyUQQDUDUCELGMLP-UHFFFAOYSA-N
XLogP1.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81075122) is 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is CCOCCN(C)c1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is UQQDUDUCELGMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-18-7-6-15(4)11-8-9(2)14-10(3)12(11)13(16)17/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81075122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).