2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide

C13H12Br2N2O3S — CID 103776755

IUPAC2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide
SMILESCOCCn1cc(NC(=O)c2cc(Br)sc2Br)ccc1=O
InChIInChI=1S/C13H12Br2N2O3S/c1-20-5-4-17-7-8(2-3-11(17)18)16-13(19)9-6-10(14)21-12(9)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)
InChIKeyFALLCNNWRAGTEX-UHFFFAOYSA-N
MW436.13 g/mol
LogP3.33
Rot. Bonds5

About 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide

2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide (PubChem CID 103776755) has the molecular formula C13H12Br2N2O3S and a molecular weight of 436.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide
PubChem CID103776755
Molecular FormulaC13H12Br2N2O3S
Molecular Weight436.13 g/mol
Exact Mass433.89
IUPAC Name2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide
SMILESCOCCn1cc(NC(=O)c2cc(Br)sc2Br)ccc1=O
InChIInChI=1S/C13H12Br2N2O3S/c1-20-5-4-17-7-8(2-3-11(17)18)16-13(19)9-6-10(14)21-12(9)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)
InChIKeyFALLCNNWRAGTEX-UHFFFAOYSA-N
XLogP3.33
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide (CID 103776755) is 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide is COCCn1cc(NC(=O)c2cc(Br)sc2Br)ccc1=O.
What is the InChIKey of 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide?
The InChIKey is FALLCNNWRAGTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3S/c1-20-5-4-17-7-8(2-3-11(17)18)16-13(19)9-6-10(14)21-12(9)15/h2-3,6-7H,4-5H2,1H3,(H,16,19).
What are the key properties of 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide?
2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide has a molecular weight of 436.13 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]thiophene-3-carboxamide is sourced from PubChem (CID 103776755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).