3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid

C12H16N2O4 — CID 79156299

IUPAC3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
SMILESCCN(C)C(=O)COc1ccc(C)nc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-4-14(3)10(15)7-18-9-6-5-8(2)13-11(9)12(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyCXILLBMCJXCGRU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.95
Rot. Bonds5

About 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid

3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid (PubChem CID 79156299) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
PubChem CID79156299
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
SMILESCCN(C)C(=O)COc1ccc(C)nc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-4-14(3)10(15)7-18-9-6-5-8(2)13-11(9)12(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyCXILLBMCJXCGRU-UHFFFAOYSA-N
XLogP0.95
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-ethyl-N-methylacetamide
CID 62097636
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79158684
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid (CID 79156299) is 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid is CCN(C)C(=O)COc1ccc(C)nc1C(=O)O.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid?
The InChIKey is CXILLBMCJXCGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-4-14(3)10(15)7-18-9-6-5-8(2)13-11(9)12(16)17/h5-6H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid?
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79156299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).