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

C19H18BrN3 — CID 21266520

IUPAC5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine
SMILESBrc1ccc(NCCCc2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C19H18BrN3/c20-17-8-9-18(23-19(17)16-10-13-21-14-11-16)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,22,23)
InChIKeyYZGQFXGMJSUAGT-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.95
Rot. Bonds6

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

5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine (PubChem CID 21266520) has the molecular formula C19H18BrN3 and a molecular weight of 368.28 g/mol. Its IUPAC name is 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine
PubChem CID21266520
Molecular FormulaC19H18BrN3
Molecular Weight368.28 g/mol
Exact Mass367.07
IUPAC Name5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine
SMILESBrc1ccc(NCCCc2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C19H18BrN3/c20-17-8-9-18(23-19(17)16-10-13-21-14-11-16)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,22,23)
InChIKeyYZGQFXGMJSUAGT-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine (CID 21266520) is 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine is Brc1ccc(NCCCc2ccccc2)nc1-c1ccncc1.
What is the InChIKey of 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
The InChIKey is YZGQFXGMJSUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3/c20-17-8-9-18(23-19(17)16-10-13-21-14-11-16)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,22,23).
What are the key properties of 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine?
5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine has a molecular weight of 368.28 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-phenylpropyl)-6-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 21266520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).