5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide

C13H12Br2N2OS — CID 62954068

IUPAC5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H12Br2N2OS/c1-2-17(8-10-4-6-12(15)19-10)13(18)11-5-3-9(14)7-16-11/h3-7H,2,8H2,1H3
InChIKeyAINNJJYXUDWBTM-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.33
Rot. Bonds4

About 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide (PubChem CID 62954068) has the molecular formula C13H12Br2N2OS and a molecular weight of 404.13 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
PubChem CID62954068
Molecular FormulaC13H12Br2N2OS
Molecular Weight404.13 g/mol
Exact Mass401.90
IUPAC Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H12Br2N2OS/c1-2-17(8-10-4-6-12(15)19-10)13(18)11-5-3-9(14)7-16-11/h3-7H,2,8H2,1H3
InChIKeyAINNJJYXUDWBTM-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-ethylpyridine-2-carboxamide
CID 62233456
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60655011
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
CID 60938086
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide (CID 62954068) is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide is CCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
The InChIKey is AINNJJYXUDWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2OS/c1-2-17(8-10-4-6-12(15)19-10)13(18)11-5-3-9(14)7-16-11/h3-7H,2,8H2,1H3.
What are the key properties of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide?
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide has a molecular weight of 404.13 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 62954068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).