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

C13H13BrN2OS — CID 103889839

IUPAC6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H13BrN2OS/c1-9(7-10-5-6-18-8-10)15-13(17)11-3-2-4-12(14)16-11/h2-6,8-9H,7H2,1H3,(H,15,17)
InChIKeyVCTUCTYAPFNRGD-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.27
Rot. Bonds4

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

6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 103889839) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
PubChem CID103889839
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cccc(Br)n1
InChIInChI=1S/C13H13BrN2OS/c1-9(7-10-5-6-18-8-10)15-13(17)11-3-2-4-12(14)16-11/h2-6,8-9H,7H2,1H3,(H,15,17)
InChIKeyVCTUCTYAPFNRGD-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.27
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

2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61473727
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97313604

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide (CID 103889839) is 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide is CC(Cc1ccsc1)NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is VCTUCTYAPFNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9(7-10-5-6-18-8-10)15-13(17)11-3-2-4-12(14)16-11/h2-6,8-9H,7H2,1H3,(H,15,17).
What are the key properties of 6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 3.27, 4 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-3-ylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103889839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).