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

C12H12BrN3OS — CID 62186650

IUPAC2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cccnc1N
InChIInChI=1S/C12H12BrN3OS/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,(H2,14,15)
InChIKeyAUJOIDVCEYQIKE-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.76
Rot. Bonds3

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

2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 62186650) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID62186650
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cccnc1N
InChIInChI=1S/C12H12BrN3OS/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,(H2,14,15)
InChIKeyAUJOIDVCEYQIKE-UHFFFAOYSA-N
XLogP2.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62661675
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
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]-2,3,4-trimethoxy-N-methylbenzamide
CID 60580019
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256288
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide (CID 62186650) is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is AUJOIDVCEYQIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/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,(H2,14,15).
What are the key properties of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide?
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62186650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).