2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H16FN3 — CID 60980613

IUPAC2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(Nc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3/c1-11(12-5-7-15(18)8-6-12)20-17-14(10-19)9-13-3-2-4-16(13)21-17/h5-9,11H,2-4H2,1H3,(H,20,21)
InChIKeyJSJFDQRBBFWACP-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.75
Rot. Bonds3

About 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60980613) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60980613
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(Nc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3/c1-11(12-5-7-15(18)8-6-12)20-17-14(10-19)9-13-3-2-4-16(13)21-17/h5-9,11H,2-4H2,1H3,(H,20,21)
InChIKeyJSJFDQRBBFWACP-UHFFFAOYSA-N
XLogP3.75
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60980613) is 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC(Nc1nc2c(cc1C#N)CCC2)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is JSJFDQRBBFWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11(12-5-7-15(18)8-6-12)20-17-14(10-19)9-13-3-2-4-16(13)21-17/h5-9,11H,2-4H2,1H3,(H,20,21).
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 281.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60980613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).