2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid

C13H20N2O3 — CID 104762163

IUPAC2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCOC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-4-11-7-10(13(16)17)8-12(15-11)14-5-6-18-9(2)3/h7-9H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNGYOHTHYBRNBJH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.18
Rot. Bonds7

About 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid

2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid (PubChem CID 104762163) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
PubChem CID104762163
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCOC(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-4-11-7-10(13(16)17)8-12(15-11)14-5-6-18-9(2)3/h7-9H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNGYOHTHYBRNBJH-UHFFFAOYSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-ethyl-6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765567
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
CID 106305378
2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 106035062
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914
2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
CID 114108203
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid (CID 104762163) is 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NCCOC(C)C)n1.
What is the InChIKey of 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid?
The InChIKey is NGYOHTHYBRNBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-11-7-10(13(16)17)8-12(15-11)14-5-6-18-9(2)3/h7-9H,4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid?
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 104762163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).