N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine

C19H18BrN3O — CID 12051154

IUPACN-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
SMILESBrc1cccc(Nc2ncccc2OCCCc2ccncc2)c1
InChIInChI=1S/C19H18BrN3O/c20-16-5-1-6-17(14-16)23-19-18(7-2-10-22-19)24-13-3-4-15-8-11-21-12-9-15/h1-2,5-12,14H,3-4,13H2,(H,22,23)
InChIKeyQDMHJWYVHSILTK-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.99
Rot. Bonds7

About N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine

N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine (PubChem CID 12051154) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
PubChem CID12051154
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine
SMILESBrc1cccc(Nc2ncccc2OCCCc2ccncc2)c1
InChIInChI=1S/C19H18BrN3O/c20-16-5-1-6-17(14-16)23-19-18(7-2-10-22-19)24-13-3-4-15-8-11-21-12-9-15/h1-2,5-12,14H,3-4,13H2,(H,22,23)
InChIKeyQDMHJWYVHSILTK-UHFFFAOYSA-N
XLogP4.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
The IUPAC name of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine (CID 12051154) is N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine is Brc1cccc(Nc2ncccc2OCCCc2ccncc2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
The InChIKey is QDMHJWYVHSILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-16-5-1-6-17(14-16)23-19-18(7-2-10-22-19)24-13-3-4-15-8-11-21-12-9-15/h1-2,5-12,14H,3-4,13H2,(H,22,23).
What are the key properties of N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine?
N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine has a molecular weight of 384.28 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(3-pyridin-4-ylpropoxy)pyridin-2-amine is sourced from PubChem (CID 12051154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).