3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid

C12H16N2O5 — CID 81445637

IUPAC3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
SMILESCOCCNC(=O)C(C)Oc1cnccc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-8(11(15)14-5-6-18-2)19-10-7-13-4-3-9(10)12(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFIDPOJWQRSEHOA-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.31
Rot. Bonds7

About 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid

3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid (PubChem CID 81445637) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
PubChem CID81445637
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
SMILESCOCCNC(=O)C(C)Oc1cnccc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-8(11(15)14-5-6-18-2)19-10-7-13-4-3-9(10)12(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFIDPOJWQRSEHOA-UHFFFAOYSA-N
XLogP0.31
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 63651716
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116911
3,5-dichloro-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43516100

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid?
The IUPAC name of 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid (CID 81445637) is 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid is COCCNC(=O)C(C)Oc1cnccc1C(=O)O.
What is the InChIKey of 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid?
The InChIKey is FIDPOJWQRSEHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(11(15)14-5-6-18-2)19-10-7-13-4-3-9(10)12(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid?
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid is sourced from PubChem (CID 81445637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).