2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid

C10H14N2O3 — CID 65035612

IUPAC2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCC(CO)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H14N2O3/c1-7(6-13)5-12-9-4-8(10(14)15)2-3-11-9/h2-4,7,13H,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyINHGKIPZKQEQMM-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.82
Rot. Bonds5

About 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid

2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 65035612) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID65035612
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
SMILESCC(CO)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H14N2O3/c1-7(6-13)5-12-9-4-8(10(14)15)2-3-11-9/h2-4,7,13H,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyINHGKIPZKQEQMM-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853535
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid (CID 65035612) is 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid is CC(CO)CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is INHGKIPZKQEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(6-13)5-12-9-4-8(10(14)15)2-3-11-9/h2-4,7,13H,5-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid?
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 65035612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).