2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide

C11H16BrN3O — CID 104778072

IUPAC2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccncc1Br
InChIInChI=1S/C11H16BrN3O/c1-4-15(8-11(16)14(2)3)10-5-6-13-7-9(10)12/h5-7H,4,8H2,1-3H3
InChIKeyQXFABHSJSUMSLD-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.76
Rot. Bonds4

About 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide

2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 104778072) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
PubChem CID104778072
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccncc1Br
InChIInChI=1S/C11H16BrN3O/c1-4-15(8-11(16)14(2)3)10-5-6-13-7-9(10)12/h5-7H,4,8H2,1-3H3
InChIKeyQXFABHSJSUMSLD-UHFFFAOYSA-N
XLogP1.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
CID 104779301
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
ethyl 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]acetate
CID 104779166
4-bromo-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 61448927
1-[4-(diethylamino)-3-pyridinyl]ethanone
CID 83878130
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80808680
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104533388
2-(3-bromo-4-cyano-N-ethyl-2-fluoroanilino)-N,N-dimethylacetamide
CID 107533352

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide (CID 104778072) is 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is QXFABHSJSUMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-4-15(8-11(16)14(2)3)10-5-6-13-7-9(10)12/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide?
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 286.17 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 104778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).