5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine

C20H20BrN3 — CID 21266536

IUPAC5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine
SMILESCC(CNc1ccc(Br)c(-c2ccncc2)n1)Cc1ccccc1
InChIInChI=1S/C20H20BrN3/c1-15(13-16-5-3-2-4-6-16)14-23-19-8-7-18(21)20(24-19)17-9-11-22-12-10-17/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyRJUDQCBUDRXPJK-UHFFFAOYSA-N
MW382.31 g/mol
LogP5.20
Rot. Bonds6

About 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine

5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine (PubChem CID 21266536) has the molecular formula C20H20BrN3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine
PubChem CID21266536
Molecular FormulaC20H20BrN3
Molecular Weight382.31 g/mol
Exact Mass381.08
IUPAC Name5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine
SMILESCC(CNc1ccc(Br)c(-c2ccncc2)n1)Cc1ccccc1
InChIInChI=1S/C20H20BrN3/c1-15(13-16-5-3-2-4-6-16)14-23-19-8-7-18(21)20(24-19)17-9-11-22-12-10-17/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyRJUDQCBUDRXPJK-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.31
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine (CID 21266536) is 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine is CC(CNc1ccc(Br)c(-c2ccncc2)n1)Cc1ccccc1.
What is the InChIKey of 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
The InChIKey is RJUDQCBUDRXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3/c1-15(13-16-5-3-2-4-6-16)14-23-19-8-7-18(21)20(24-19)17-9-11-22-12-10-17/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine has a molecular weight of 382.31 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 21266536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).