2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile

C14H18FN3 — CID 112583121

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile
SMILESCCC(NC1CCCC1C#N)c1ccc(F)cn1
InChIInChI=1S/C14H18FN3/c1-2-12(14-7-6-11(15)9-17-14)18-13-5-3-4-10(13)8-16/h6-7,9-10,12-13,18H,2-5H2,1H3
InChIKeyDBKGNUSDBRGPSL-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile

2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile (PubChem CID 112583121) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile
PubChem CID112583121
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile
SMILESCCC(NC1CCCC1C#N)c1ccc(F)cn1
InChIInChI=1S/C14H18FN3/c1-2-12(14-7-6-11(15)9-17-14)18-13-5-3-4-10(13)8-16/h6-7,9-10,12-13,18H,2-5H2,1H3
InChIKeyDBKGNUSDBRGPSL-UHFFFAOYSA-N
XLogP2.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile 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 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile (CID 112583121) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile is CCC(NC1CCCC1C#N)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile?
The InChIKey is DBKGNUSDBRGPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-12(14-7-6-11(15)9-17-14)18-13-5-3-4-10(13)8-16/h6-7,9-10,12-13,18H,2-5H2,1H3.
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile?
2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile has a molecular weight of 247.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 112583121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).