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

C12H10Br2N2OS — CID 103754914

IUPAC2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cccnc1Br
InChIInChI=1S/C12H10Br2N2OS/c1-16(6-8-5-10(13)18-7-8)12(17)9-3-2-4-15-11(9)14/h2-5,7H,6H2,1H3
InChIKeyCNVBRVYMYRQERE-UHFFFAOYSA-N
MW390.10 g/mol
LogP3.94
Rot. Bonds3

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

2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 103754914) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID103754914
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC Name2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cccnc1Br
InChIInChI=1S/C12H10Br2N2OS/c1-16(6-8-5-10(13)18-7-8)12(17)9-3-2-4-15-11(9)14/h2-5,7H,6H2,1H3
InChIKeyCNVBRVYMYRQERE-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
2-bromo-N-[(4-cyanophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103754344
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62661675
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide (CID 103754914) is 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is CNVBRVYMYRQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c1-16(6-8-5-10(13)18-7-8)12(17)9-3-2-4-15-11(9)14/h2-5,7H,6H2,1H3.
What are the key properties of 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 390.10 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103754914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).