N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide

C13H13BrN2OS — CID 30389923

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C13H13BrN2OS/c1-9-2-3-10(8-16-9)13(17)15-7-6-11-4-5-12(14)18-11/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyJLHZKNSELWSHKS-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 30389923) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID30389923
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(Br)s2)cn1
InChIInChI=1S/C13H13BrN2OS/c1-9-2-3-10(8-16-9)13(17)15-7-6-11-4-5-12(14)18-11/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyJLHZKNSELWSHKS-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 106050469
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide (CID 30389923) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCc2ccc(Br)s2)cn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is JLHZKNSELWSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9-2-3-10(8-16-9)13(17)15-7-6-11-4-5-12(14)18-11/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 30389923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).