N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide

C12H11BrN2OS — CID 54984032

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccccn1
InChIInChI=1S/C12H11BrN2OS/c1-15(7-9-6-11(13)17-8-9)12(16)10-4-2-3-5-14-10/h2-6,8H,7H2,1H3
InChIKeyIKPCVQFPEXWBPP-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.18
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 54984032) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID54984032
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccccn1
InChIInChI=1S/C12H11BrN2OS/c1-15(7-9-6-11(13)17-8-9)12(16)10-4-2-3-5-14-10/h2-6,8H,7H2,1H3
InChIKeyIKPCVQFPEXWBPP-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
CID 113436313
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 47389196
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86839473
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide (CID 54984032) is N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1ccccn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is IKPCVQFPEXWBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-15(7-9-6-11(13)17-8-9)12(16)10-4-2-3-5-14-10/h2-6,8H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 54984032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).