N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane

C17H22N2O2S — CID 91331713

IUPACN-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane
SMILESCC.CC.O=C(NC1=CC=CC1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C13H10N2O2S.2C2H6/c16-11-9-5-6-18-13(9)14-7-10(11)12(17)15-8-3-1-2-4-8;2*1-2/h1-3,5-7H,4H2,(H,14,16)(H,15,17);2*1-2H3
InChIKeyWSUIEUNAUYCKKP-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.22
Rot. Bonds2

About N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane

N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane (PubChem CID 91331713) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane
PubChem CID91331713
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane
SMILESCC.CC.O=C(NC1=CC=CC1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C13H10N2O2S.2C2H6/c16-11-9-5-6-18-13(9)14-7-10(11)12(17)15-8-3-1-2-4-8;2*1-2/h1-3,5-7H,4H2,(H,14,16)(H,15,17);2*1-2H3
InChIKeyWSUIEUNAUYCKKP-UHFFFAOYSA-N
XLogP4.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane (CID 91331713) is N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane is CC.CC.O=C(NC1=CC=CC1)c1c[nH]c2sccc2c1=O.
What is the InChIKey of N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane?
The InChIKey is WSUIEUNAUYCKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S.2C2H6/c16-11-9-5-6-18-13(9)14-7-10(11)12(17)15-8-3-1-2-4-8;2*1-2/h1-3,5-7H,4H2,(H,14,16)(H,15,17);2*1-2H3.
What are the key properties of N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane?
N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane has a molecular weight of 318.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;ethane is sourced from PubChem (CID 91331713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).