2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide

C13H14BrN3OS — CID 107338022

IUPAC2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H14BrN3OS/c1-17(7-12-4-9(14)8-19-12)13(18)5-11-3-2-10(15)6-16-11/h2-4,6,8H,5,7,15H2,1H3
InChIKeyZMYUZWHZPOYIPK-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.69
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide

2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 107338022) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID107338022
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C13H14BrN3OS/c1-17(7-12-4-9(14)8-19-12)13(18)5-11-3-2-10(15)6-16-11/h2-4,6,8H,5,7,15H2,1H3
InChIKeyZMYUZWHZPOYIPK-UHFFFAOYSA-N
XLogP2.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 107338553
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120617349
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026055
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 107338519
2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
CID 107339694
2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 62112892
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
5-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(dimethylamino)-N-methylbenzamide
CID 61109086
1-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115913456

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide (CID 107338022) is 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1cc(Br)cs1)C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is ZMYUZWHZPOYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-17(7-12-4-9(14)8-19-12)13(18)5-11-3-2-10(15)6-16-11/h2-4,6,8H,5,7,15H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 340.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 107338022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).