2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

C13H13BrN2OS — CID 103752713

IUPAC2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H13BrN2OS/c1-9(7-11-3-2-6-18-11)16-13(17)10-4-5-15-12(14)8-10/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyCNAYLRRFAPFGLC-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.27
Rot. Bonds4

About 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 103752713) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID103752713
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C13H13BrN2OS/c1-9(7-11-3-2-6-18-11)16-13(17)10-4-5-15-12(14)8-10/h2-6,8-9H,7H2,1H3,(H,16,17)
InChIKeyCNAYLRRFAPFGLC-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'}

Analyze 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-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

3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (CID 103752713) is 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cc1cccs1)NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is CNAYLRRFAPFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9(7-11-3-2-6-18-11)16-13(17)10-4-5-15-12(14)8-10/h2-6,8-9H,7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-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 2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103752713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).