2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid

C12H18N2O3 — CID 106842389

IUPAC2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCCCO)n1
InChIInChI=1S/C12H18N2O3/c1-2-10-7-9(12(16)17)8-11(14-10)13-5-3-4-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyZIRDYOPFVVEPKX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.53
Rot. Bonds7

About 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid

2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid (PubChem CID 106842389) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
PubChem CID106842389
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCCCO)n1
InChIInChI=1S/C12H18N2O3/c1-2-10-7-9(12(16)17)8-11(14-10)13-5-3-4-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyZIRDYOPFVVEPKX-UHFFFAOYSA-N
XLogP1.53
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
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-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
2-(2-acetamidoethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380141
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
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-(4-hydroxybutylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid (CID 106842389) is 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NCCCCO)n1.
What is the InChIKey of 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid?
The InChIKey is ZIRDYOPFVVEPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-10-7-9(12(16)17)8-11(14-10)13-5-3-4-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid?
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106842389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).