N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide

C12H11BrN2OS — CID 63900504

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCc1ccc(Br)s1
InChIInChI=1S/C12H11BrN2OS/c13-11-4-3-10(17-11)8-15-12(16)6-9-2-1-5-14-7-9/h1-5,7H,6,8H2,(H,15,16)
InChIKeyCDNCCYQVJGFGLC-UHFFFAOYSA-N
MW311.20 g/mol
LogP2.76
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide

N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide (PubChem CID 63900504) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide
PubChem CID63900504
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCc1ccc(Br)s1
InChIInChI=1S/C12H11BrN2OS/c13-11-4-3-10(17-11)8-15-12(16)6-9-2-1-5-14-7-9/h1-5,7H,6,8H2,(H,15,16)
InChIKeyCDNCCYQVJGFGLC-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 79529546
N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070295
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 154862718

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide (CID 63900504) is N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide?
The InChIKey is CDNCCYQVJGFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c13-11-4-3-10(17-11)8-15-12(16)6-9-2-1-5-14-7-9/h1-5,7H,6,8H2,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide has a molecular weight of 311.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 63900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).