N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide

C13H13BrN2OS — CID 55060233

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H13BrN2OS/c1-9-4-3-5-15-12(9)13(17)16(2)7-11-6-10(14)8-18-11/h3-6,8H,7H2,1-2H3
InChIKeyXBIFZXASMVIXET-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.49
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 55060233) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID55060233
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H13BrN2OS/c1-9-4-3-5-15-12(9)13(17)16(2)7-11-6-10(14)8-18-11/h3-6,8H,7H2,1-2H3
InChIKeyXBIFZXASMVIXET-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

2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
CID 61109461
N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060277
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
2-methyl-5-[[methyl-(3-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522958
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 55780843
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848
N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248535
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(3-cyanophenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 62968450
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64950094

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide (CID 55060233) is N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide is Cc1cccnc1C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is XBIFZXASMVIXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9-4-3-5-15-12(9)13(17)16(2)7-11-6-10(14)8-18-11/h3-6,8H,7H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-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 N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 55060233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).