6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid

C12H18N2O3 — CID 122053976

IUPAC6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
SMILESCCC(O)CCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-2-9(15)5-4-8-13-11-7-3-6-10(14-11)12(16)17/h3,6-7,9,15H,2,4-5,8H2,1H3,(H,13,14)(H,16,17)
InChIKeyQLABTDNLPZZBGP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.74
Rot. Bonds7

About 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid

6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid (PubChem CID 122053976) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
PubChem CID122053976
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
SMILESCCC(O)CCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O3/c1-2-9(15)5-4-8-13-11-7-3-6-10(14-11)12(16)17/h3,6-7,9,15H,2,4-5,8H2,1H3,(H,13,14)(H,16,17)
InChIKeyQLABTDNLPZZBGP-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid (CID 122053976) is 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid is CCC(O)CCCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid?
The InChIKey is QLABTDNLPZZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-9(15)5-4-8-13-11-7-3-6-10(14-11)12(16)17/h3,6-7,9,15H,2,4-5,8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid?
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 122053976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).