2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide

C10H13Br2N3O2 — CID 106236398

IUPAC2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1ncc(Br)cc1Br
InChIInChI=1S/C10H13Br2N3O2/c11-7-3-8(12)9(15-4-7)5-14-1-2-17-6-10(13)16/h3-4,14H,1-2,5-6H2,(H2,13,16)
InChIKeyPVYZCSGJHMSXIG-UHFFFAOYSA-N
MW367.04 g/mol
LogP1.20
Rot. Bonds7

About 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide

2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide (PubChem CID 106236398) has the molecular formula C10H13Br2N3O2 and a molecular weight of 367.04 g/mol. Its IUPAC name is 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide
PubChem CID106236398
Molecular FormulaC10H13Br2N3O2
Molecular Weight367.04 g/mol
Exact Mass364.94
IUPAC Name2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1ncc(Br)cc1Br
InChIInChI=1S/C10H13Br2N3O2/c11-7-3-8(12)9(15-4-7)5-14-1-2-17-6-10(13)16/h3-4,14H,1-2,5-6H2,(H2,13,16)
InChIKeyPVYZCSGJHMSXIG-UHFFFAOYSA-N
XLogP1.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239797
6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
CID 104573881
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethyl]-N-propylcarbamate
CID 107246256
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
2-[(3,5-dibromo-2-pyridinyl)methylamino]-N-methylethanesulfonamide
CID 102680182
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
CID 106235049
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide (CID 106236398) is 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1ncc(Br)cc1Br.
What is the InChIKey of 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide?
The InChIKey is PVYZCSGJHMSXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3O2/c11-7-3-8(12)9(15-4-7)5-14-1-2-17-6-10(13)16/h3-4,14H,1-2,5-6H2,(H2,13,16).
What are the key properties of 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide?
2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide has a molecular weight of 367.04 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106236398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).