6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid

C14H21N3O4 — CID 62850825

IUPAC6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCOCCN(C)CCNC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H21N3O4/c1-10-11(14(19)20)4-5-12(16-10)13(18)15-6-7-17(2)8-9-21-3/h4-5H,6-9H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyLCUQLBJODKGOGC-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.40
Rot. Bonds8

About 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid

6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 62850825) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID62850825
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCOCCN(C)CCNC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H21N3O4/c1-10-11(14(19)20)4-5-12(16-10)13(18)15-6-7-17(2)8-9-21-3/h4-5H,6-9H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyLCUQLBJODKGOGC-UHFFFAOYSA-N
XLogP0.40
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 55126391
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63834438
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62845386
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 113230340
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 81239862
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
2-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 62848709
2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63331339

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid (CID 62850825) is 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid is COCCN(C)CCNC(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is LCUQLBJODKGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-11(14(19)20)4-5-12(16-10)13(18)15-6-7-17(2)8-9-21-3/h4-5H,6-9H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62850825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).