6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid

C12H18N2O3 — CID 122057794

IUPAC6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
SMILESCC(CCO)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-9(6-8-15)5-7-13-11-4-2-3-10(14-11)12(16)17/h2-4,9,15H,5-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyVQHLQZSWALGHDJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.60
Rot. Bonds7

About 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid

6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid (PubChem CID 122057794) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
PubChem CID122057794
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
SMILESCC(CCO)CCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-9(6-8-15)5-7-13-11-4-2-3-10(14-11)12(16)17/h2-4,9,15H,5-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyVQHLQZSWALGHDJ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118

Frequently Asked Questions

What is the IUPAC name of 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid (CID 122057794) is 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid is CC(CCO)CCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid?
The InChIKey is VQHLQZSWALGHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(6-8-15)5-7-13-11-4-2-3-10(14-11)12(16)17/h2-4,9,15H,5-8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid?
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).