5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide

C14H12BrClN2OS — CID 62000467

IUPAC5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1cc(Br)cnc1Cl
InChIInChI=1S/C14H12BrClN2OS/c15-9-5-11(13(16)17-6-9)14(19)18-7-10-4-8-2-1-3-12(8)20-10/h4-6H,1-3,7H2,(H,18,19)
InChIKeyGAAIFGXLSOXBQS-UHFFFAOYSA-N
MW371.69 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 62000467) has the molecular formula C14H12BrClN2OS and a molecular weight of 371.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID62000467
Molecular FormulaC14H12BrClN2OS
Molecular Weight371.69 g/mol
Exact Mass369.95
IUPAC Name5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1cc(Br)cnc1Cl
InChIInChI=1S/C14H12BrClN2OS/c15-9-5-11(13(16)17-6-9)14(19)18-7-10-4-8-2-1-3-12(8)20-10/h4-6H,1-3,7H2,(H,18,19)
InChIKeyGAAIFGXLSOXBQS-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61215827
2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 107952210
3-amino-5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylbenzamide
CID 107872496
5-bromo-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 99355657
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
5-bromo-2-chloro-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 71861931
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 62000467) is 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cc2c(s1)CCC2)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GAAIFGXLSOXBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2OS/c15-9-5-11(13(16)17-6-9)14(19)18-7-10-4-8-2-1-3-12(8)20-10/h4-6H,1-3,7H2,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 371.69 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62000467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).