3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid

C13H12N2O4S — CID 59152500

IUPAC3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cc(COc2ccsc2C(=O)O)ccn1
InChIInChI=1S/C13H12N2O4S/c1-8(16)15-11-6-9(2-4-14-11)7-19-10-3-5-20-12(10)13(17)18/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyMITVGUVDFBFWKD-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.38
Rot. Bonds5

About 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid

3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 59152500) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
PubChem CID59152500
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cc(COc2ccsc2C(=O)O)ccn1
InChIInChI=1S/C13H12N2O4S/c1-8(16)15-11-6-9(2-4-14-11)7-19-10-3-5-20-12(10)13(17)18/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyMITVGUVDFBFWKD-UHFFFAOYSA-N
XLogP2.38
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid (CID 59152500) is 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid is CC(=O)Nc1cc(COc2ccsc2C(=O)O)ccn1.
What is the InChIKey of 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is MITVGUVDFBFWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-8(16)15-11-6-9(2-4-14-11)7-19-10-3-5-20-12(10)13(17)18/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid?
3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamido-4-pyridinyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 59152500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).