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

C12H19N3O2 — CID 81052116

IUPAC4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCN(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-7-10(13-5-6-15(3)4)11(12(16)17)9(2)14-8/h7H,5-6H2,1-4H3,(H,13,14)(H,16,17)
InChIKeyXNAQAYJOUKNIFY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.37
Rot. Bonds5

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

4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81052116) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81052116
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCN(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-8-7-10(13-5-6-15(3)4)11(12(16)17)9(2)14-8/h7H,5-6H2,1-4H3,(H,13,14)(H,16,17)
InChIKeyXNAQAYJOUKNIFY-UHFFFAOYSA-N
XLogP1.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81052116) is 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(NCCN(C)C)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XNAQAYJOUKNIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-7-10(13-5-6-15(3)4)11(12(16)17)9(2)14-8/h7H,5-6H2,1-4H3,(H,13,14)(H,16,17).
What are the key properties of 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81052116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).