N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide

C14H16N2O2S — CID 47341855

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)sc2C)ccc1=O
InChIInChI=1S/C14H16N2O2S/c1-4-16-8-11(5-6-13(16)17)15-14(18)12-7-9(2)19-10(12)3/h5-8H,4H2,1-3H3,(H,15,18)
InChIKeyJIIXBLVOBPKZTK-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.80
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 47341855) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID47341855
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)sc2C)ccc1=O
InChIInChI=1S/C14H16N2O2S/c1-4-16-8-11(5-6-13(16)17)15-14(18)12-7-9(2)19-10(12)3/h5-8H,4H2,1-3H3,(H,15,18)
InChIKeyJIIXBLVOBPKZTK-UHFFFAOYSA-N
XLogP2.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide (CID 47341855) is N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide is CCn1cc(NC(=O)c2cc(C)sc2C)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is JIIXBLVOBPKZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-16-8-11(5-6-13(16)17)15-14(18)12-7-9(2)19-10(12)3/h5-8H,4H2,1-3H3,(H,15,18).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 47341855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).