4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide

C12H10Cl2N2O2S — CID 146323464

IUPAC4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)ccc1=O
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-16-6-7(3-4-10(16)17)15-12(18)9-5-8(13)11(14)19-9/h3-6H,2H2,1H3,(H,15,18)
InChIKeyQYRXTJSOWFHOCP-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.49
Rot. Bonds3

About 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide

4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 146323464) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
PubChem CID146323464
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)ccc1=O
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-16-6-7(3-4-10(16)17)15-12(18)9-5-8(13)11(14)19-9/h3-6H,2H2,1H3,(H,15,18)
InChIKeyQYRXTJSOWFHOCP-UHFFFAOYSA-N
XLogP3.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide (CID 146323464) is 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide is CCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)ccc1=O.
What is the InChIKey of 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is QYRXTJSOWFHOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-2-16-6-7(3-4-10(16)17)15-12(18)9-5-8(13)11(14)19-9/h3-6H,2H2,1H3,(H,15,18).
What are the key properties of 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).