5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid

C10H14N2O3 — CID 83186758

IUPAC5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CCO)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H14N2O3/c1-7(4-5-13)12-8-2-3-9(10(14)15)11-6-8/h2-3,6-7,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyDUYWNQDTCRSROR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.96
Rot. Bonds5

About 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid

5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 83186758) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID83186758
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
SMILESCC(CCO)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H14N2O3/c1-7(4-5-13)12-8-2-3-9(10(14)15)11-6-8/h2-3,6-7,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyDUYWNQDTCRSROR-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

6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
2-bromo-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 107282258
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid (CID 83186758) is 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid is CC(CCO)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is DUYWNQDTCRSROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(4-5-13)12-8-2-3-9(10(14)15)11-6-8/h2-3,6-7,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid?
5-(4-hydroxybutan-2-ylamino)pyridine-2-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 5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 83186758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).