5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide

C11H16BrN3O — CID 104685237

IUPAC5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ncccc1Br
InChIInChI=1S/C11H16BrN3O/c1-8(4-2-6-13)11(16)15-10-9(12)5-3-7-14-10/h3,5,7-8H,2,4,6,13H2,1H3,(H,14,15,16)
InChIKeyMIHHETDKPVGHMM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.16
Rot. Bonds5

About 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide

5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide (PubChem CID 104685237) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
PubChem CID104685237
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ncccc1Br
InChIInChI=1S/C11H16BrN3O/c1-8(4-2-6-13)11(16)15-10-9(12)5-3-7-14-10/h3,5,7-8H,2,4,6,13H2,1H3,(H,14,15,16)
InChIKeyMIHHETDKPVGHMM-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide (CID 104685237) is 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ncccc1Br.
What is the InChIKey of 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide?
The InChIKey is MIHHETDKPVGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(4-2-6-13)11(16)15-10-9(12)5-3-7-14-10/h3,5,7-8H,2,4,6,13H2,1H3,(H,14,15,16).
What are the key properties of 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide?
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide has a molecular weight of 286.17 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide is sourced from PubChem (CID 104685237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).