N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

C13H15BrN4O — CID 104516092

IUPACN-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cn1)c1nccnc1OC
InChIInChI=1S/C13H15BrN4O/c1-3-15-11(10-5-4-9(14)8-18-10)12-13(19-2)17-7-6-16-12/h4-8,11,15H,3H2,1-2H3
InChIKeyQHSJTUBJQXASNN-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.34
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 104516092) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
PubChem CID104516092
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC NameN-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cn1)c1nccnc1OC
InChIInChI=1S/C13H15BrN4O/c1-3-15-11(10-5-4-9(14)8-18-10)12-13(19-2)17-7-6-16-12/h4-8,11,15H,3H2,1-2H3
InChIKeyQHSJTUBJQXASNN-UHFFFAOYSA-N
XLogP2.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
N-[(4,5-dibromothiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105032234
1-(5-bromo-2-pyridinyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylmethanamine
CID 105178350
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993
N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516007
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860499

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (CID 104516092) is N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)cn1)c1nccnc1OC.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is QHSJTUBJQXASNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-3-15-11(10-5-4-9(14)8-18-10)12-13(19-2)17-7-6-16-12/h4-8,11,15H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 323.19 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 104516092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).