4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide

C13H14N2OS — CID 1246563

IUPAC4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2ccncc2)csc1C
InChIInChI=1S/C13H14N2OS/c1-3-11-9(2)17-8-12(11)13(16)15-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyICVYGGAAFWNBFD-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.27
Rot. Bonds3

About 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide

4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide (PubChem CID 1246563) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide
PubChem CID1246563
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2ccncc2)csc1C
InChIInChI=1S/C13H14N2OS/c1-3-11-9(2)17-8-12(11)13(16)15-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyICVYGGAAFWNBFD-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide (CID 1246563) is 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide is CCc1c(C(=O)Nc2ccncc2)csc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide?
The InChIKey is ICVYGGAAFWNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-11-9(2)17-8-12(11)13(16)15-10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide?
4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-pyridin-4-ylthiophene-3-carboxamide is sourced from PubChem (CID 1246563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).