6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid

C15H24N2O4 — CID 82960320

IUPAC6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCCOCCN(CCOCC)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C15H24N2O4/c1-4-20-10-8-17(9-11-21-5-2)14-7-6-13(15(18)19)12(3)16-14/h6-7H,4-5,8-11H2,1-3H3,(H,18,19)
InChIKeyIEUKXNFXHOSIBC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.97
Rot. Bonds10

About 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid

6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid (PubChem CID 82960320) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid
PubChem CID82960320
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid
SMILESCCOCCN(CCOCC)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C15H24N2O4/c1-4-20-10-8-17(9-11-21-5-2)14-7-6-13(15(18)19)12(3)16-14/h6-7H,4-5,8-11H2,1-3H3,(H,18,19)
InChIKeyIEUKXNFXHOSIBC-UHFFFAOYSA-N
XLogP1.97
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
2-[bis(2-ethoxyethyl)amino]-4-methylbenzoic acid
CID 82939762
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 114067329
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
2-[2-ethoxyethyl(methyl)amino]-5-methylbenzoic acid
CID 81056290
1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
CID 82950852
2-[2-ethoxyethyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429188

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid (CID 82960320) is 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid is CCOCCN(CCOCC)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is IEUKXNFXHOSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-10-8-17(9-11-21-5-2)14-7-6-13(15(18)19)12(3)16-14/h6-7H,4-5,8-11H2,1-3H3,(H,18,19).
What are the key properties of 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid?
6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-ethoxyethyl)amino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 82960320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).