5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

C12H10N2O4S — CID 55248378

IUPAC5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C12H10N2O4S/c1-6-4-8(12(17)18)11(19-6)14-10(16)7-2-3-9(15)13-5-7/h2-5H,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyRNRYITIOKMEIQO-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.70
Rot. Bonds3

About 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 55248378) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID55248378
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C12H10N2O4S/c1-6-4-8(12(17)18)11(19-6)14-10(16)7-2-3-9(15)13-5-7/h2-5H,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyRNRYITIOKMEIQO-UHFFFAOYSA-N
XLogP1.70
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 55248378) is 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2ccc(=O)[nH]c2)s1.
What is the InChIKey of 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is RNRYITIOKMEIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-6-4-8(12(17)18)11(19-6)14-10(16)7-2-3-9(15)13-5-7/h2-5H,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 55248378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).