6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid

C11H14N2O4S — CID 61320229

IUPAC6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESCOCCSCC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O4S/c1-17-4-5-18-7-10(14)13-9-3-2-8(6-12-9)11(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyKMLQVYSLGJAVRF-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.10
Rot. Bonds7

About 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid

6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 61320229) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID61320229
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESCOCCSCC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O4S/c1-17-4-5-18-7-10(14)13-9-3-2-8(6-12-9)11(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyKMLQVYSLGJAVRF-UHFFFAOYSA-N
XLogP1.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.10
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

6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 61319605
methyl 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoate
CID 43423614
4-[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]ethyl]benzoic acid
CID 43665750
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359
2-chloro-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid
CID 61398427
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
CID 61320227
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
CID 61317563
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid (CID 61320229) is 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid is COCCSCC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is KMLQVYSLGJAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-17-4-5-18-7-10(14)13-9-3-2-8(6-12-9)11(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid?
6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61320229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).