2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile

C19H20FN5 — CID 126892911

IUPAC2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H20FN5/c20-16-3-5-17(6-4-16)23-8-10-24(11-9-23)18-13-25(14-18)19-15(12-21)2-1-7-22-19/h1-7,18H,8-11,13-14H2
InChIKeyVCITUVDZRFEDKD-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.10
Rot. Bonds3

About 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile

2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126892911) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
PubChem CID126892911
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H20FN5/c20-16-3-5-17(6-4-16)23-8-10-24(11-9-23)18-13-25(14-18)19-15(12-21)2-1-7-22-19/h1-7,18H,8-11,13-14H2
InChIKeyVCITUVDZRFEDKD-UHFFFAOYSA-N
XLogP2.10
TPSA46.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile (CID 126892911) is 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VCITUVDZRFEDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-16-3-5-17(6-4-16)23-8-10-24(11-9-23)18-13-25(14-18)19-15(12-21)2-1-7-22-19/h1-7,18H,8-11,13-14H2.
What are the key properties of 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile?
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 337.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126892911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).