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

C13H10N2O2S — CID 59396780

IUPACN-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1=CC=CC1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C13H10N2O2S/c16-11-9-5-6-18-13(9)14-7-10(11)12(17)15-8-3-1-2-4-8/h1-3,5-7H,4H2,(H,14,16)(H,15,17)
InChIKeyKCBCWLCGBKRDIU-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.16
Rot. Bonds2

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

N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 59396780) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
PubChem CID59396780
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1=CC=CC1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C13H10N2O2S/c16-11-9-5-6-18-13(9)14-7-10(11)12(17)15-8-3-1-2-4-8/h1-3,5-7H,4H2,(H,14,16)(H,15,17)
InChIKeyKCBCWLCGBKRDIU-UHFFFAOYSA-N
XLogP2.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.16
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 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?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide (CID 59396780) is N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide is 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?
The InChIKey is KCBCWLCGBKRDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-11-9-5-6-18-13(9)14-7-10(11)12(17)15-8-3-1-2-4-8/h1-3,5-7H,4H2,(H,14,16)(H,15,17).
What are the key properties of N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide?
N-cyclopenta-1,3-dien-1-yl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 59396780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).