5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile

C12H16FN3 — CID 115716617

IUPAC5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
SMILESCC(NCCCCC#N)c1cncc(F)c1
InChIInChI=1S/C12H16FN3/c1-10(16-6-4-2-3-5-14)11-7-12(13)9-15-8-11/h7-10,16H,2-4,6H2,1H3
InChIKeyQEDPGXGOYPKGSF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.57
Rot. Bonds6

About 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile

5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile (PubChem CID 115716617) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
PubChem CID115716617
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
SMILESCC(NCCCCC#N)c1cncc(F)c1
InChIInChI=1S/C12H16FN3/c1-10(16-6-4-2-3-5-14)11-7-12(13)9-15-8-11/h7-10,16H,2-4,6H2,1H3
InChIKeyQEDPGXGOYPKGSF-UHFFFAOYSA-N
XLogP2.57
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.57
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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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115721045
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]butanenitrile
CID 81348362
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile?
The IUPAC name of 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile (CID 115716617) is 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile.
What is the SMILES notation for 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile?
The canonical SMILES for 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile is CC(NCCCCC#N)c1cncc(F)c1.
What is the InChIKey of 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile?
The InChIKey is QEDPGXGOYPKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-10(16-6-4-2-3-5-14)11-7-12(13)9-15-8-11/h7-10,16H,2-4,6H2,1H3.
What are the key properties of 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile?
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile has a molecular weight of 221.28 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile is sourced from PubChem (CID 115716617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).