6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid

C13H19N3O4 — CID 80632539

IUPAC6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
SMILESCOCCNC(=O)CN(C)c1ncc(C(=O)O)cc1C
InChIInChI=1S/C13H19N3O4/c1-9-6-10(13(18)19)7-15-12(9)16(2)8-11(17)14-4-5-20-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyTXMCEPREZDHWJL-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.29
Rot. Bonds7

About 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid

6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid (PubChem CID 80632539) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
PubChem CID80632539
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
SMILESCOCCNC(=O)CN(C)c1ncc(C(=O)O)cc1C
InChIInChI=1S/C13H19N3O4/c1-9-6-10(13(18)19)7-15-12(9)16(2)8-11(17)14-4-5-20-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyTXMCEPREZDHWJL-UHFFFAOYSA-N
XLogP0.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622
6-[ethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid;hydrochloride
CID 131844515
6-[2-(dimethylamino)ethyl-methylamino]-5-methylpyridine-3-carboxylic acid
CID 80630875
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
5-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 81057588
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
N-(2-methoxyethyl)-2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806380
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 114071706
6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80632148
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid
CID 80631533

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid (CID 80632539) is 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid is COCCNC(=O)CN(C)c1ncc(C(=O)O)cc1C.
What is the InChIKey of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid?
The InChIKey is TXMCEPREZDHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-6-10(13(18)19)7-15-12(9)16(2)8-11(17)14-4-5-20-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid?
6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).