5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide

C12H11BrN2OS — CID 114700584

IUPAC5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2OS/c1-8-6-14-5-4-9(8)7-15-12(16)10-2-3-11(13)17-10/h2-6H,7H2,1H3,(H,15,16)
InChIKeyHPVWRQJAUKMKRF-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 114700584) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID114700584
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1cnccc1CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2OS/c1-8-6-14-5-4-9(8)7-15-12(16)10-2-3-11(13)17-10/h2-6H,7H2,1H3,(H,15,16)
InChIKeyHPVWRQJAUKMKRF-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

2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
4-amino-2-(dimethylamino)-N-[(3-methyl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 114702402
1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699190
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide (CID 114700584) is 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide is Cc1cnccc1CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is HPVWRQJAUKMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-6-14-5-4-9(8)7-15-12(16)10-2-3-11(13)17-10/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(3-methyl-4-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 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 114700584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).