2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid

C14H22N2O3 — CID 79680309

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C14H22N2O3/c1-9-7-10(2)15-12(11(9)13(17)18)19-8-14(3,4)16(5)6/h7H,8H2,1-6H3,(H,17,18)
InChIKeyGRUAXKDOAPVLFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.12
Rot. Bonds5

About 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid

2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 79680309) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID79680309
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C14H22N2O3/c1-9-7-10(2)15-12(11(9)13(17)18)19-8-14(3,4)16(5)6/h7H,8H2,1-6H3,(H,17,18)
InChIKeyGRUAXKDOAPVLFY-UHFFFAOYSA-N
XLogP2.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid (CID 79680309) is 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(OCC(C)(C)N(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is GRUAXKDOAPVLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-10(2)15-12(11(9)13(17)18)19-8-14(3,4)16(5)6/h7H,8H2,1-6H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid?
2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropoxy]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 79680309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).