N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide

C9H12BrN3O — CID 17376218

IUPACN-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O/c1-13(2)6-9(14)12-8-4-3-7(10)5-11-8/h3-5H,6H2,1-2H3,(H,11,12,14)
InChIKeyOXTNEGZWYXPGPD-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.34
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide

N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide (PubChem CID 17376218) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide
PubChem CID17376218
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O/c1-13(2)6-9(14)12-8-4-3-7(10)5-11-8/h3-5H,6H2,1-2H3,(H,11,12,14)
InChIKeyOXTNEGZWYXPGPD-UHFFFAOYSA-N
XLogP1.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide (CID 17376218) is N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide?
The InChIKey is OXTNEGZWYXPGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-13(2)6-9(14)12-8-4-3-7(10)5-11-8/h3-5H,6H2,1-2H3,(H,11,12,14).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide?
N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide has a molecular weight of 258.12 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 17376218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).