2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide

C11H16BrN3O — CID 55206707

IUPAC2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-8(2)14-11(16)7-15(3)10-5-4-9(12)6-13-10/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyLFFMYZWOZXKGFM-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.80
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide

2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 55206707) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
PubChem CID55206707
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-8(2)14-11(16)7-15(3)10-5-4-9(12)6-13-10/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyLFFMYZWOZXKGFM-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
2-[(5,6-diamino-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 79826827
2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide
CID 71975683
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 133351800
2-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 55005158
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
2-[(3-chloro-4-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 71977838
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide (CID 55206707) is 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is LFFMYZWOZXKGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(2)14-11(16)7-15(3)10-5-4-9(12)6-13-10/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide?
2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 286.17 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55206707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).