N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane

C17H24BrN3 — CID 145002499

IUPACN-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane
SMILESCC.CC.[H]/N=C/c1ccc(Br)cc1Nc1cccc(C)n1
InChIInChI=1S/C13H12BrN3.2C2H6/c1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15;2*1-2/h2-8,15H,1H3,(H,16,17);2*1-2H3/b15-8+;;
InChIKeyDTZXIOBPAHCVKH-OLIKVXRNSA-N
MW350.30 g/mol
LogP5.95
Rot. Bonds3

About N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane

N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane (PubChem CID 145002499) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane.

Molecular Properties

Compound NameN-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane
PubChem CID145002499
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane
SMILESCC.CC.[H]/N=C/c1ccc(Br)cc1Nc1cccc(C)n1
InChIInChI=1S/C13H12BrN3.2C2H6/c1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15;2*1-2/h2-8,15H,1H3,(H,16,17);2*1-2H3/b15-8+;;
InChIKeyDTZXIOBPAHCVKH-OLIKVXRNSA-N
XLogP5.95
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane?
The IUPAC name of N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane (CID 145002499) is N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane.
What is the SMILES notation for N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane?
The canonical SMILES for N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane is CC.CC.[H]/N=C/c1ccc(Br)cc1Nc1cccc(C)n1.
What is the InChIKey of N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane?
The InChIKey is DTZXIOBPAHCVKH-OLIKVXRNSA-N. The full InChI is InChI=1S/C13H12BrN3.2C2H6/c1-9-3-2-4-13(16-9)17-12-7-11(14)6-5-10(12)8-15;2*1-2/h2-8,15H,1H3,(H,16,17);2*1-2H3/b15-8+;;.
What are the key properties of N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane?
N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane has a molecular weight of 350.30 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methanimidoylphenyl)-6-methylpyridin-2-amine;ethane is sourced from PubChem (CID 145002499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).