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

C11H16N2O3 — CID 66107956

IUPAC6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCC(CCO)CNc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-8(5-6-14)7-12-10-4-2-3-9(13-10)11(15)16/h2-4,8,14H,5-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyXSGWOCIWEARFOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.21
Rot. Bonds6

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

6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid (PubChem CID 66107956) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
PubChem CID66107956
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
SMILESCC(CCO)CNc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-8(5-6-14)7-12-10-4-2-3-9(13-10)11(15)16/h2-4,8,14H,5-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyXSGWOCIWEARFOO-UHFFFAOYSA-N
XLogP1.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
2-[(4-hydroxy-2-methylbutyl)amino]quinoline-5-carboxylic acid
CID 66107741
4-[(6-hydrazinyl-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80921705
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
6-[(3-hydroxy-2,2,4-trimethylpentyl)amino]pyridine-2-carboxylic acid
CID 122049018
6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
CID 122053851
6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
CID 122053761
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid (CID 66107956) is 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid is CC(CCO)CNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is XSGWOCIWEARFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(5-6-14)7-12-10-4-2-3-9(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-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid?
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 66107956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).