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

C12H11BrN2OS — CID 78792336

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cccnc1
InChIInChI=1S/C12H11BrN2OS/c1-15(8-10-4-5-11(13)17-10)12(16)9-3-2-6-14-7-9/h2-7H,8H2,1H3
InChIKeyPHYKMWMECBPDRC-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.18
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 78792336) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID78792336
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cccnc1
InChIInChI=1S/C12H11BrN2OS/c1-15(8-10-4-5-11(13)17-10)12(16)9-3-2-6-14-7-9/h2-7H,8H2,1H3
InChIKeyPHYKMWMECBPDRC-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 38085432
N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 27839410
N-[(5-bromothiophen-2-yl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 27839528
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830527
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 54939157
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide (CID 78792336) is N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1cccnc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is PHYKMWMECBPDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-15(8-10-4-5-11(13)17-10)12(16)9-3-2-6-14-7-9/h2-7H,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 78792336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).