2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid

C14H22N2O2 — CID 113457836

IUPAC2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-6-11-7-10(13(17)18)8-12(16-11)15-9(2)14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyKXSZJERNGRMIFV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.19
Rot. Bonds4

About 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid

2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid (PubChem CID 113457836) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
PubChem CID113457836
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C14H22N2O2/c1-6-11-7-10(13(17)18)8-12(16-11)15-9(2)14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyKXSZJERNGRMIFV-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 104828594
2-(3-methylbutan-2-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380100
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914
2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 106035062
2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
CID 114108203
2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid
CID 113380098
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
CID 106305378
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid (CID 113457836) is 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NC(C)C(C)(C)C)n1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is KXSZJERNGRMIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-11-7-10(13(17)18)8-12(16-11)15-9(2)14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid?
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 113457836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).