N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide

C10H13Br2N3O — CID 166661327

IUPACN-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc(Br)nc1Br
InChIInChI=1S/C10H13Br2N3O/c1-6(2)13-5-9(16)14-7-3-4-8(11)15-10(7)12/h3-4,6,13H,5H2,1-2H3,(H,14,16)
InChIKeyNTRKANWIIODDQK-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.54
Rot. Bonds4

About N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide

N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide (PubChem CID 166661327) has the molecular formula C10H13Br2N3O and a molecular weight of 351.04 g/mol. Its IUPAC name is N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide
PubChem CID166661327
Molecular FormulaC10H13Br2N3O
Molecular Weight351.04 g/mol
Exact Mass348.94
IUPAC NameN-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccc(Br)nc1Br
InChIInChI=1S/C10H13Br2N3O/c1-6(2)13-5-9(16)14-7-3-4-8(11)15-10(7)12/h3-4,6,13H,5H2,1-2H3,(H,14,16)
InChIKeyNTRKANWIIODDQK-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61159065
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
methyl 5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60842005
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 160912939
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide (CID 166661327) is N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccc(Br)nc1Br.
What is the InChIKey of N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is NTRKANWIIODDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3O/c1-6(2)13-5-9(16)14-7-3-4-8(11)15-10(7)12/h3-4,6,13H,5H2,1-2H3,(H,14,16).
What are the key properties of N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 351.04 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 166661327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).