3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride

C16H17ClFN3 — CID 68862206

IUPAC3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride
SMILESCl.Fc1cnccc1NCCCn1ccc2ccccc21
InChIInChI=1S/C16H16FN3.ClH/c17-14-12-18-9-6-15(14)19-8-3-10-20-11-7-13-4-1-2-5-16(13)20;/h1-2,4-7,9,11-12H,3,8,10H2,(H,18,19);1H
InChIKeyKZTYTJVTGMKXCJ-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.10
Rot. Bonds5

About 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride

3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride (PubChem CID 68862206) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride
PubChem CID68862206
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride
SMILESCl.Fc1cnccc1NCCCn1ccc2ccccc21
InChIInChI=1S/C16H16FN3.ClH/c17-14-12-18-9-6-15(14)19-8-3-10-20-11-7-13-4-1-2-5-16(13)20;/h1-2,4-7,9,11-12H,3,8,10H2,(H,18,19);1H
InChIKeyKZTYTJVTGMKXCJ-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.10
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 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride?
The IUPAC name of 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride (CID 68862206) is 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride.
What is the SMILES notation for 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride?
The canonical SMILES for 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride is Cl.Fc1cnccc1NCCCn1ccc2ccccc21.
What is the InChIKey of 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride?
The InChIKey is KZTYTJVTGMKXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3.ClH/c17-14-12-18-9-6-15(14)19-8-3-10-20-11-7-13-4-1-2-5-16(13)20;/h1-2,4-7,9,11-12H,3,8,10H2,(H,18,19);1H.
What are the key properties of 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride?
3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride has a molecular weight of 305.78 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-indol-1-ylpropyl)pyridin-4-amine;hydrochloride is sourced from PubChem (CID 68862206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).