6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid

C11H16N2O4 — CID 106247946

IUPAC6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
SMILESCOCC(O)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-17-7-8(14)5-6-12-10-4-2-3-9(13-10)11(15)16/h2-4,8,14H,5-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyLGAIJFUASOSUFD-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.59
Rot. Bonds7

About 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid

6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid (PubChem CID 106247946) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
PubChem CID106247946
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
SMILESCOCC(O)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-17-7-8(14)5-6-12-10-4-2-3-9(13-10)11(15)16/h2-4,8,14H,5-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyLGAIJFUASOSUFD-UHFFFAOYSA-N
XLogP0.59
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
3-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163756
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid (CID 106247946) is 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid is COCC(O)CCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is LGAIJFUASOSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-7-8(14)5-6-12-10-4-2-3-9(13-10)11(15)16/h2-4,8,14H,5-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid?
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106247946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).