2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid

C13H13N3O4S — CID 63113888

IUPAC2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCCn1cc(NC(=O)Nc2sccc2C(=O)O)ccc1=O
InChIInChI=1S/C13H13N3O4S/c1-2-16-7-8(3-4-10(16)17)14-13(20)15-11-9(12(18)19)5-6-21-11/h3-7H,2H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyVEVUYAFXDBVZAB-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.27
Rot. Bonds4

About 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63113888) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63113888
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCCn1cc(NC(=O)Nc2sccc2C(=O)O)ccc1=O
InChIInChI=1S/C13H13N3O4S/c1-2-16-7-8(3-4-10(16)17)14-13(20)15-11-9(12(18)19)5-6-21-11/h3-7H,2H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyVEVUYAFXDBVZAB-UHFFFAOYSA-N
XLogP2.27
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[(3-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113495
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
2-[(4-phenoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 59767724
1-benzyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 48739052
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
2-[(3-hydroxy-4-methoxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114184
2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114756
2-(1-methylsulfanylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113494919

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63113888) is 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid is CCn1cc(NC(=O)Nc2sccc2C(=O)O)ccc1=O.
What is the InChIKey of 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is VEVUYAFXDBVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-2-16-7-8(3-4-10(16)17)14-13(20)15-11-9(12(18)19)5-6-21-11/h3-7H,2H2,1H3,(H,18,19)(H2,14,15,20).
What are the key properties of 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).