5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

C13H18N2O4 — CID 79795056

IUPAC5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCC(C)CCNC(=O)COc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O4/c1-9(2)5-6-14-12(16)8-19-10-3-4-11(13(17)18)15-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyDYVQXKQRSWUQMZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds7

About 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 79795056) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID79795056
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCC(C)CCNC(=O)COc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O4/c1-9(2)5-6-14-12(16)8-19-10-3-4-11(13(17)18)15-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyDYVQXKQRSWUQMZ-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[2-(3-methylbutylamino)-2-oxoethoxy]-2-pyridinyl]prop-2-enoic acid
CID 79790192
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
CID 79799979
5-[2-(2-cyanoethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795043
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795048
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 79795056) is 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is CC(C)CCNC(=O)COc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is DYVQXKQRSWUQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)5-6-14-12(16)8-19-10-3-4-11(13(17)18)15-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylbutylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79795056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).