5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C13H13BrN2OS — CID 79954703

IUPAC5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccnc2)sc1Br
InChIInChI=1S/C13H13BrN2OS/c1-9-6-11(18-12(9)14)13(17)16(2)8-10-4-3-5-15-7-10/h3-7H,8H2,1-2H3
InChIKeyTYAYOSPOTMUWHQ-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.49
Rot. Bonds3

About 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 79954703) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID79954703
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccnc2)sc1Br
InChIInChI=1S/C13H13BrN2OS/c1-9-6-11(18-12(9)14)13(17)16(2)8-10-4-3-5-15-7-10/h3-7H,8H2,1-2H3
InChIKeyTYAYOSPOTMUWHQ-UHFFFAOYSA-N
XLogP3.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
N,3,4-trimethyl-N-(pyridin-3-ylmethyl)-5-sulfamoylbenzamide
CID 39791197
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 79954703) is 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)N(C)Cc2cccnc2)sc1Br.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is TYAYOSPOTMUWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9-6-11(18-12(9)14)13(17)16(2)8-10-4-3-5-15-7-10/h3-7H,8H2,1-2H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79954703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).