2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H16FN3O — CID 126857112

IUPAC2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NC1CCCOC1F)CCC2
InChIInChI=1S/C14H16FN3O/c15-13-12(5-2-6-19-13)18-14-10(8-16)7-9-3-1-4-11(9)17-14/h7,12-13H,1-6H2,(H,17,18)
InChIKeyQZRCFKIWFGXOHD-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.33
Rot. Bonds2

About 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 126857112) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID126857112
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NC1CCCOC1F)CCC2
InChIInChI=1S/C14H16FN3O/c15-13-12(5-2-6-19-13)18-14-10(8-16)7-9-3-1-4-11(9)17-14/h7,12-13H,1-6H2,(H,17,18)
InChIKeyQZRCFKIWFGXOHD-UHFFFAOYSA-N
XLogP2.33
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 126857112) is 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NC1CCCOC1F)CCC2.
What is the InChIKey of 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is QZRCFKIWFGXOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-12(5-2-6-19-13)18-14-10(8-16)7-9-3-1-4-11(9)17-14/h7,12-13H,1-6H2,(H,17,18).
What are the key properties of 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 261.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorooxan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 126857112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).