3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid

C10H14N2O3 — CID 83187293

IUPAC3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CCO)Nc1cnccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-7(3-5-13)12-9-6-11-4-2-8(9)10(14)15/h2,4,6-7,12-13H,3,5H2,1H3,(H,14,15)
InChIKeyDWQRUISABPHEFD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.96
Rot. Bonds5

About 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid

3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 83187293) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID83187293
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CCO)Nc1cnccc1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-7(3-5-13)12-9-6-11-4-2-8(9)10(14)15/h2,4,6-7,12-13H,3,5H2,1H3,(H,14,15)
InChIKeyDWQRUISABPHEFD-UHFFFAOYSA-N
XLogP0.96
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106345806
2,3-difluoro-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83187633
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
CID 150717053
3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
CID 114288736
5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83176856
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177024
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
3-[(2-methyl-4-phenylbutanoyl)amino]pyridine-4-carboxylic acid
CID 71767725
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
CID 81243719

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid (CID 83187293) is 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid is CC(CCO)Nc1cnccc1C(=O)O.
What is the InChIKey of 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is DWQRUISABPHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(3-5-13)12-9-6-11-4-2-8(9)10(14)15/h2,4,6-7,12-13H,3,5H2,1H3,(H,14,15).
What are the key properties of 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid?
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 83187293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).