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

C11H8N2O4S — CID 114040056

IUPAC2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H8N2O4S/c14-8-3-1-2-7(12-8)9(15)13-10-6(11(16)17)4-5-18-10/h1-5H,(H,12,14)(H,13,15)(H,16,17)
InChIKeyHQDQRMYJSAWFTM-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.39
Rot. Bonds3

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

2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 114040056) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID114040056
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H8N2O4S/c14-8-3-1-2-7(12-8)9(15)13-10-6(11(16)17)4-5-18-10/h1-5H,(H,12,14)(H,13,15)(H,16,17)
InChIKeyHQDQRMYJSAWFTM-UHFFFAOYSA-N
XLogP1.39
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357351
2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43664804
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
N-(4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261598
6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261797
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 114040056) is 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is HQDQRMYJSAWFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-8-3-1-2-7(12-8)9(15)13-10-6(11(16)17)4-5-18-10/h1-5H,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 114040056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).