2-(4-hydroxypentylamino)pyridine-4-carboxylic acid

C11H16N2O3 — CID 106136491

IUPAC2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
SMILESCC(O)CCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H16N2O3/c1-8(14)3-2-5-12-10-7-9(11(15)16)4-6-13-10/h4,6-8,14H,2-3,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyKORZZGMLMBAINK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds6

About 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid

2-(4-hydroxypentylamino)pyridine-4-carboxylic acid (PubChem CID 106136491) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
PubChem CID106136491
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
SMILESCC(O)CCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H16N2O3/c1-8(14)3-2-5-12-10-7-9(11(15)16)4-6-13-10/h4,6-8,14H,2-3,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyKORZZGMLMBAINK-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
CID 115576441
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
CID 115273439
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid (CID 106136491) is 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid is CC(O)CCCNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid?
The InChIKey is KORZZGMLMBAINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(14)3-2-5-12-10-7-9(11(15)16)4-6-13-10/h4,6-8,14H,2-3,5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid?
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106136491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).