2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid

C16H26N2O2 — CID 104828594

IUPAC2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)cc(C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-10(15(2,3)4)17-13-9-11(14(19)20)8-12(18-13)16(5,6)7/h8-10H,1-7H3,(H,17,18)(H,19,20)
InChIKeyGTFZZSZZBQDJPU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.92
Rot. Bonds3

About 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid

2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 104828594) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID104828594
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)cc(C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-10(15(2,3)4)17-13-9-11(14(19)20)8-12(18-13)16(5,6)7/h8-10H,1-7H3,(H,17,18)(H,19,20)
InChIKeyGTFZZSZZBQDJPU-UHFFFAOYSA-N
XLogP3.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(but-3-en-2-ylamino)-6-tert-butylpyridine-4-carboxylic acid
CID 113480077
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-tert-butyl-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853573
2-tert-butyl-6-(2-methylsulfanylethylamino)pyridine-4-carboxylic acid
CID 113380277
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-tert-butyl-6-(pent-3-ynylamino)pyridine-4-carboxylic acid
CID 116644346
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
2-tert-butyl-6-methylsulfanylpyridine-4-carboxylic acid
CID 84690011
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493421
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106401037

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid (CID 104828594) is 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid is CC(Nc1cc(C(=O)O)cc(C(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is GTFZZSZZBQDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(15(2,3)4)17-13-9-11(14(19)20)8-12(18-13)16(5,6)7/h8-10H,1-7H3,(H,17,18)(H,19,20).
What are the key properties of 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid?
2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 278.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 104828594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).