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

C14H15BrN2OS — CID 113255783

IUPAC2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1cccnc1Br
InChIInChI=1S/C14H15BrN2OS/c1-10(9-11-5-4-8-19-11)17(2)14(18)12-6-3-7-16-13(12)15/h3-8,10H,9H2,1-2H3
InChIKeyHACXDIWIPUCGRD-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.61
Rot. Bonds4

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

2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 113255783) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID113255783
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1cccnc1Br
InChIInChI=1S/C14H15BrN2OS/c1-10(9-11-5-4-8-19-11)17(2)14(18)12-6-3-7-16-13(12)15/h3-8,10H,9H2,1-2H3
InChIKeyHACXDIWIPUCGRD-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103722067
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (CID 113255783) is 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is CC(Cc1cccs1)N(C)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is HACXDIWIPUCGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-10(9-11-5-4-8-19-11)17(2)14(18)12-6-3-7-16-13(12)15/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113255783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).