2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid

C13H20N2O4 — CID 106305378

IUPAC2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCCOCCO)n1
InChIInChI=1S/C13H20N2O4/c1-2-11-8-10(13(17)18)9-12(15-11)14-4-3-6-19-7-5-16/h8-9,16H,2-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyHQBBCSPWTHXXGO-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.15
Rot. Bonds9

About 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid

2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid (PubChem CID 106305378) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
PubChem CID106305378
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCCOCCO)n1
InChIInChI=1S/C13H20N2O4/c1-2-11-8-10(13(17)18)9-12(15-11)14-4-3-6-19-7-5-16/h8-9,16H,2-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyHQBBCSPWTHXXGO-UHFFFAOYSA-N
XLogP1.15
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 106035062
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
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-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 114139075

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid (CID 106305378) is 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NCCCOCCO)n1.
What is the InChIKey of 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid?
The InChIKey is HQBBCSPWTHXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-11-8-10(13(17)18)9-12(15-11)14-4-3-6-19-7-5-16/h8-9,16H,2-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid?
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106305378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).