4-(4-hydroxypentylamino)pyridine-3-carboxylic acid

C11H16N2O3 — CID 106136496

IUPAC4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
SMILESCC(O)CCCNc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8(14)3-2-5-13-10-4-6-12-7-9(10)11(15)16/h4,6-8,14H,2-3,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyXOJAXFTWBQSSIF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds6

About 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid

4-(4-hydroxypentylamino)pyridine-3-carboxylic acid (PubChem CID 106136496) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
PubChem CID106136496
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
SMILESCC(O)CCCNc1ccncc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8(14)3-2-5-13-10-4-6-12-7-9(10)11(15)16/h4,6-8,14H,2-3,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyXOJAXFTWBQSSIF-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

4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81233296
5-fluoro-2-(4-hydroxypentylamino)benzoic acid
CID 106137596
2-(4-hydroxypentylamino)-4-methylbenzoic acid
CID 106136495
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
CID 81232397

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid (CID 106136496) is 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid is CC(O)CCCNc1ccncc1C(=O)O.
What is the InChIKey of 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid?
The InChIKey is XOJAXFTWBQSSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(14)3-2-5-13-10-4-6-12-7-9(10)11(15)16/h4,6-8,14H,2-3,5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid?
4-(4-hydroxypentylamino)pyridine-3-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 4-(4-hydroxypentylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 106136496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).