2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide

C13H20BrN3O — CID 113412169

IUPAC2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(Br)c(C)n1
InChIInChI=1S/C13H20BrN3O/c1-5-17(8-13(18)15-9(2)3)12-7-6-11(14)10(4)16-12/h6-7,9H,5,8H2,1-4H3,(H,15,18)
InChIKeyDDPHZJMUWKQFFR-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.50
Rot. Bonds5

About 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide

2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 113412169) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID113412169
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(Br)c(C)n1
InChIInChI=1S/C13H20BrN3O/c1-5-17(8-13(18)15-9(2)3)12-7-6-11(14)10(4)16-12/h6-7,9H,5,8H2,1-4H3,(H,15,18)
InChIKeyDDPHZJMUWKQFFR-UHFFFAOYSA-N
XLogP2.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 133382196
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603
2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 64589162
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069
3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide
CID 114047266
2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 103517906
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-[2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]ethoxy]ethanol
CID 114263320
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55206707

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide (CID 113412169) is 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(Br)c(C)n1.
What is the InChIKey of 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is DDPHZJMUWKQFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-5-17(8-13(18)15-9(2)3)12-7-6-11(14)10(4)16-12/h6-7,9H,5,8H2,1-4H3,(H,15,18).
What are the key properties of 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 314.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113412169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).