3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide

C12H19BrN4 — CID 114047266

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1ccc(Br)c(C)n1
InChIInChI=1S/C12H19BrN4/c1-4-17(7-8(2)12(14)15)11-6-5-10(13)9(3)16-11/h5-6,8H,4,7H2,1-3H3,(H3,14,15)
InChIKeyVCCPOVNDFRHQSG-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.55
Rot. Bonds5

About 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide

3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide (PubChem CID 114047266) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide
PubChem CID114047266
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1ccc(Br)c(C)n1
InChIInChI=1S/C12H19BrN4/c1-4-17(7-8(2)12(14)15)11-6-5-10(13)9(3)16-11/h5-6,8H,4,7H2,1-3H3,(H3,14,15)
InChIKeyVCCPOVNDFRHQSG-UHFFFAOYSA-N
XLogP2.55
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide (CID 114047266) is 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)c1ccc(Br)c(C)n1.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide?
The InChIKey is VCCPOVNDFRHQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-4-17(7-8(2)12(14)15)11-6-5-10(13)9(3)16-11/h5-6,8H,4,7H2,1-3H3,(H3,14,15).
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide?
3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide has a molecular weight of 299.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide is sourced from PubChem (CID 114047266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).