2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide

C11H16BrN3O — CID 104531665

IUPAC2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-8(2)6-15(7-11(13)16)10-3-9(12)4-14-5-10/h3-5,8H,6-7H2,1-2H3,(H2,13,16)
InChIKeyQMGVZYIQJCIYBA-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.79
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide

2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide (PubChem CID 104531665) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide
PubChem CID104531665
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-8(2)6-15(7-11(13)16)10-3-9(12)4-14-5-10/h3-5,8H,6-7H2,1-2H3,(H2,13,16)
InChIKeyQMGVZYIQJCIYBA-UHFFFAOYSA-N
XLogP1.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-4-carbamothioyl-N-(2-methylpropyl)anilino]acetamide
CID 107277610
2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 83132747
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568
2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
CID 55003104
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
CID 62921775
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
2-[(4-carbamothioyl-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114288382
2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750804
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
2-[2-bromo-4-cyano-N-(2-methylpropyl)anilino]acetamide
CID 82798023
3-[4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]phenyl]prop-2-enoic acid
CID 76912201

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide (CID 104531665) is 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is QMGVZYIQJCIYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(2)6-15(7-11(13)16)10-3-9(12)4-14-5-10/h3-5,8H,6-7H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide?
2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 286.17 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 104531665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).