2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid

C12H18N2O3 — CID 106148732

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)(CCO)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H18N2O3/c1-12(2,4-6-15)8-14-10-7-9(11(16)17)3-5-13-10/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyHZOAHPRIYJARTQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.60
Rot. Bonds6

About 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid

2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid (PubChem CID 106148732) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
PubChem CID106148732
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)(CCO)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C12H18N2O3/c1-12(2,4-6-15)8-14-10-7-9(11(16)17)3-5-13-10/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyHZOAHPRIYJARTQ-UHFFFAOYSA-N
XLogP1.60
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbenzoic acid
CID 106148767
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
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
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid (CID 106148732) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid is CC(C)(CCO)CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid?
The InChIKey is HZOAHPRIYJARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,4-6-15)8-14-10-7-9(11(16)17)3-5-13-10/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).