N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide

C13H16N2O3S — CID 71001564

IUPACN-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide
SMILESCCNC(=O)C1=C(C)CC(n2ccc(O)cc2=O)S1
InChIInChI=1S/C13H16N2O3S/c1-3-14-13(18)12-8(2)6-11(19-12)15-5-4-9(16)7-10(15)17/h4-5,7,11,16H,3,6H2,1-2H3,(H,14,18)
InChIKeyUBCHDOJUXCQXGQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.60
Rot. Bonds3

About N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide

N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide (PubChem CID 71001564) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide
PubChem CID71001564
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide
SMILESCCNC(=O)C1=C(C)CC(n2ccc(O)cc2=O)S1
InChIInChI=1S/C13H16N2O3S/c1-3-14-13(18)12-8(2)6-11(19-12)15-5-4-9(16)7-10(15)17/h4-5,7,11,16H,3,6H2,1-2H3,(H,14,18)
InChIKeyUBCHDOJUXCQXGQ-UHFFFAOYSA-N
XLogP1.60
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide?
The IUPAC name of N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide (CID 71001564) is N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide?
The canonical SMILES for N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide is CCNC(=O)C1=C(C)CC(n2ccc(O)cc2=O)S1.
What is the InChIKey of N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide?
The InChIKey is UBCHDOJUXCQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-14-13(18)12-8(2)6-11(19-12)15-5-4-9(16)7-10(15)17/h4-5,7,11,16H,3,6H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide?
N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-2,3-dihydrothiophene-5-carboxamide is sourced from PubChem (CID 71001564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).