[4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine

C17H15BrN4 — CID 68733752

IUPAC[4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine
SMILESCc1cccc(-c2cc(-c3cncc(Br)c3)cc(CN)n2)n1
InChIInChI=1S/C17H15BrN4/c1-11-3-2-4-16(21-11)17-7-12(6-15(8-19)22-17)13-5-14(18)10-20-9-13/h2-7,9-10H,8,19H2,1H3
InChIKeyGPQHHFMJWLIXRN-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.74
Rot. Bonds3

About [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine

[4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine (PubChem CID 68733752) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine
PubChem CID68733752
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name[4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine
SMILESCc1cccc(-c2cc(-c3cncc(Br)c3)cc(CN)n2)n1
InChIInChI=1S/C17H15BrN4/c1-11-3-2-4-16(21-11)17-7-12(6-15(8-19)22-17)13-5-14(18)10-20-9-13/h2-7,9-10H,8,19H2,1H3
InChIKeyGPQHHFMJWLIXRN-UHFFFAOYSA-N
XLogP3.74
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine (CID 68733752) is [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine is Cc1cccc(-c2cc(-c3cncc(Br)c3)cc(CN)n2)n1.
What is the InChIKey of [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine?
The InChIKey is GPQHHFMJWLIXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c1-11-3-2-4-16(21-11)17-7-12(6-15(8-19)22-17)13-5-14(18)10-20-9-13/h2-7,9-10H,8,19H2,1H3.
What are the key properties of [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine?
[4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine has a molecular weight of 355.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-3-pyridinyl)-6-(6-methyl-2-pyridinyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 68733752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).