3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide

C12H11BrN2OS — CID 47340934

IUPAC3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2sccc2Br)n1
InChIInChI=1S/C12H11BrN2OS/c1-8-3-2-4-9(15-8)7-14-12(16)11-10(13)5-6-17-11/h2-6H,7H2,1H3,(H,14,16)
InChIKeyOAMKUHLQVUOZSN-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.14
Rot. Bonds3

About 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide

3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 47340934) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID47340934
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)c2sccc2Br)n1
InChIInChI=1S/C12H11BrN2OS/c1-8-3-2-4-9(15-8)7-14-12(16)11-10(13)5-6-17-11/h2-6H,7H2,1H3,(H,14,16)
InChIKeyOAMKUHLQVUOZSN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 47220417
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide (CID 47340934) is 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide is Cc1cccc(CNC(=O)c2sccc2Br)n1.
What is the InChIKey of 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is OAMKUHLQVUOZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-3-2-4-9(15-8)7-14-12(16)11-10(13)5-6-17-11/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide?
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47340934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).