6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide

C12H11BrN2OS — CID 66462490

IUPAC6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Br)nc1)c1cccs1
InChIInChI=1S/C12H11BrN2OS/c1-8(10-3-2-6-17-10)15-12(16)9-4-5-11(13)14-7-9/h2-8H,1H3,(H,15,16)
InChIKeyGXSRJYLRKZSUOC-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.40
Rot. Bonds3

About 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide

6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 66462490) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID66462490
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Br)nc1)c1cccs1
InChIInChI=1S/C12H11BrN2OS/c1-8(10-3-2-6-17-10)15-12(16)9-4-5-11(13)14-7-9/h2-8H,1H3,(H,15,16)
InChIKeyGXSRJYLRKZSUOC-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 35697497
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 66462490) is 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(Br)nc1)c1cccs1.
What is the InChIKey of 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is GXSRJYLRKZSUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8(10-3-2-6-17-10)15-12(16)9-4-5-11(13)14-7-9/h2-8H,1H3,(H,15,16).
What are the key properties of 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).