3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid

C12H16N2O5 — CID 61380362

IUPAC3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCOCCCNC(=O)COc1cccnc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-18-7-3-6-13-10(15)8-19-9-4-2-5-14-11(9)12(16)17/h2,4-5H,3,6-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyVSJDMQUPRSPXFT-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.31
Rot. Bonds8

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

3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (PubChem CID 61380362) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
PubChem CID61380362
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
SMILESCOCCCNC(=O)COc1cccnc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-18-7-3-6-13-10(15)8-19-9-4-2-5-14-11(9)12(16)17/h2,4-5H,3,6-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyVSJDMQUPRSPXFT-UHFFFAOYSA-N
XLogP0.31
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.31
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

3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380351
3-[2-(cyanomethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380031
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
3-[2-(ethoxycarbonylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380447
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid (CID 61380362) is 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is COCCCNC(=O)COc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
The InChIKey is VSJDMQUPRSPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-7-3-6-13-10(15)8-19-9-4-2-5-14-11(9)12(16)17/h2,4-5H,3,6-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid?
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).