6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid

C14H22N2O3 — CID 114125748

IUPAC6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCOCCC(C)(C)CNc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O3/c1-10-11(13(17)18)5-6-12(16-10)15-9-14(2,3)7-8-19-4/h5-6H,7-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBHMOOGIXXMXFEU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.56
Rot. Bonds7

About 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid

6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid (PubChem CID 114125748) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
PubChem CID114125748
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCOCCC(C)(C)CNc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O3/c1-10-11(13(17)18)5-6-12(16-10)15-9-14(2,3)7-8-19-4/h5-6H,7-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBHMOOGIXXMXFEU-UHFFFAOYSA-N
XLogP2.56
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
CID 113434162
1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254505
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971
5-bromo-2-[(4-methoxy-2,2-dimethylbutyl)amino]benzoic acid
CID 114126373
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114180485
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62850825
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-4-methylbenzoic acid
CID 114165013
6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
CID 103401537
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid (CID 114125748) is 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid is COCCC(C)(C)CNc1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is BHMOOGIXXMXFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-11(13(17)18)5-6-12(16-10)15-9-14(2,3)7-8-19-4/h5-6H,7-9H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid?
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114125748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).