5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine

C16H16BrN3 — CID 10711464

IUPAC5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine
SMILESCCCN(c1ccncc1)n1ccc2cc(Br)ccc21
InChIInChI=1S/C16H16BrN3/c1-2-10-19(15-5-8-18-9-6-15)20-11-7-13-12-14(17)3-4-16(13)20/h3-9,11-12H,2,10H2,1H3
InChIKeyZGKKKWMQYVOFGE-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.48
Rot. Bonds4

About 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine

5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine (PubChem CID 10711464) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine.

Molecular Properties

Compound Name5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine
PubChem CID10711464
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine
SMILESCCCN(c1ccncc1)n1ccc2cc(Br)ccc21
InChIInChI=1S/C16H16BrN3/c1-2-10-19(15-5-8-18-9-6-15)20-11-7-13-12-14(17)3-4-16(13)20/h3-9,11-12H,2,10H2,1H3
InChIKeyZGKKKWMQYVOFGE-UHFFFAOYSA-N
XLogP4.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-propyl-N-pyridin-4-ylindol-1-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 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine?
The IUPAC name of 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine (CID 10711464) is 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine.
What is the SMILES notation for 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine?
The canonical SMILES for 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine is CCCN(c1ccncc1)n1ccc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine?
The InChIKey is ZGKKKWMQYVOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-2-10-19(15-5-8-18-9-6-15)20-11-7-13-12-14(17)3-4-16(13)20/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine?
5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine has a molecular weight of 330.23 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-N-pyridin-4-ylindol-1-amine is sourced from PubChem (CID 10711464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).