2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

C13H20N2O3 — CID 113380189

IUPAC2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-7-10(13(16)17)8-12(14-11)15(3)5-6-18-4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyDSYHREFHUKEZOG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.99
Rot. Bonds6

About 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 113380189) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID113380189
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-9(2)11-7-10(13(16)17)8-12(14-11)15(3)5-6-18-4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyDSYHREFHUKEZOG-UHFFFAOYSA-N
XLogP1.99
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Morpholin-4-yl)quinoline-4-carboxylic acid
CID 230788
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
6-Methyl-2-morpholinonicotinic acid
CID 62700965
6-(Diethylamino)pyridine-2-carboxylic acid
CID 1953738
2-(Cyclopropylamino)-6-methylpyridine-4-carboxylic acid
CID 83698075
6-(Dipropylamino)pyridine-2-carboxylic acid
CID 2402139
6-((Cyclopropylmethyl)(propyl)amino)picolinic acid
CID 2415269
2-(Diethylamino)-6-methylisonicotinic acid
CID 58418055
1,2-[[6-(Carboxy)-pyridin-2-yl]-methylamino] ethane
CID 62255724
2-[(3R*,4S*)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-methylisonicotinic acid
CID 72906817
6-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-2-pyridinecarboxylic acid
CID 72914798
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 113380189) is 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is COCCN(C)c1cc(C(=O)O)cc(C(C)C)n1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is DSYHREFHUKEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)11-7-10(13(16)17)8-12(14-11)15(3)5-6-18-4/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).