N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C18H16N2O5S — CID 54733581

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)c(O)c2sccc21
InChIInChI=1S/C18H16N2O5S/c1-2-20-11-5-8-26-16(11)15(21)14(18(20)23)17(22)19-10-3-4-12-13(9-10)25-7-6-24-12/h3-5,8-9,21H,2,6-7H2,1H3,(H,19,22)
InChIKeyMUTQNVHOJXVLNO-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.81
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733581) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733581
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)c(O)c2sccc21
InChIInChI=1S/C18H16N2O5S/c1-2-20-11-5-8-26-16(11)15(21)14(18(20)23)17(22)19-10-3-4-12-13(9-10)25-7-6-24-12/h3-5,8-9,21H,2,6-7H2,1H3,(H,19,22)
InChIKeyMUTQNVHOJXVLNO-UHFFFAOYSA-N
XLogP2.81
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733581) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc3c(c2)OCCO3)c(O)c2sccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is MUTQNVHOJXVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-2-20-11-5-8-26-16(11)15(21)14(18(20)23)17(22)19-10-3-4-12-13(9-10)25-7-6-24-12/h3-5,8-9,21H,2,6-7H2,1H3,(H,19,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).