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

C13H12Cl2N2O3S — CID 146323367

IUPAC4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)cc(OC)c1=O
InChIInChI=1S/C13H12Cl2N2O3S/c1-3-17-6-7(4-9(20-2)13(17)19)16-12(18)10-5-8(14)11(15)21-10/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyGPPQMKDOKIPSLE-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.50
Rot. Bonds4

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

4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 146323367) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide
PubChem CID146323367
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)cc(OC)c1=O
InChIInChI=1S/C13H12Cl2N2O3S/c1-3-17-6-7(4-9(20-2)13(17)19)16-12(18)10-5-8(14)11(15)21-10/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyGPPQMKDOKIPSLE-UHFFFAOYSA-N
XLogP3.50
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323464
5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
CID 146323492
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-5-methoxythiophene-2-carboxamide
CID 146323371
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4,5-dichloro-N-(1,2-diethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323576
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 167637338
N-(3,4-dimethoxyphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 134059555

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide (CID 146323367) is 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide is CCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)cc(OC)c1=O.
What is the InChIKey of 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is GPPQMKDOKIPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-3-17-6-7(4-9(20-2)13(17)19)16-12(18)10-5-8(14)11(15)21-10/h4-6H,3H2,1-2H3,(H,16,18).
What are the key properties of 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1-ethyl-5-methoxy-6-oxo-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).