6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid

C12H18N2O3 — CID 106189988

IUPAC6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(O)C(C)(C)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O3/c1-11(2,12(3,4)17)14-9-6-5-8(7-13-9)10(15)16/h5-7,17H,1-4H3,(H,13,14)(H,15,16)
InChIKeyKVQUAIIVHHJDTL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.74
Rot. Bonds4

About 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid

6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 106189988) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID106189988
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(O)C(C)(C)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O3/c1-11(2,12(3,4)17)14-9-6-5-8(7-13-9)10(15)16/h5-7,17H,1-4H3,(H,13,14)(H,15,16)
InChIKeyKVQUAIIVHHJDTL-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
CID 55232021
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
hydrazine;6-hydrazinylpyridine-3-carboxylic acid
CID 166604204
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(2-prop-1-enylhydrazinyl)pyridine-3-carboxylic acid
CID 70287368
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
6-(but-2-enoylamino)pyridine-3-carboxylic acid
CID 78969127
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid (CID 106189988) is 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid is CC(C)(O)C(C)(C)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is KVQUAIIVHHJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-11(2,12(3,4)17)14-9-6-5-8(7-13-9)10(15)16/h5-7,17H,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid?
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106189988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).