6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C16H19N5O2 — CID 47068773

IUPAC6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCN3C(=O)CCC3=O)CC2)nc1
InChIInChI=1S/C16H19N5O2/c17-11-13-1-2-14(18-12-13)20-8-5-19(6-9-20)7-10-21-15(22)3-4-16(21)23/h1-2,12H,3-10H2
InChIKeyWQNDMZUVRYWRMH-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.22
Rot. Bonds4

About 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 47068773) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID47068773
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCN3C(=O)CCC3=O)CC2)nc1
InChIInChI=1S/C16H19N5O2/c17-11-13-1-2-14(18-12-13)20-8-5-19(6-9-20)7-10-21-15(22)3-4-16(21)23/h1-2,12H,3-10H2
InChIKeyWQNDMZUVRYWRMH-UHFFFAOYSA-N
XLogP0.22
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 47068773) is 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(CCN3C(=O)CCC3=O)CC2)nc1.
What is the InChIKey of 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WQNDMZUVRYWRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-11-13-1-2-14(18-12-13)20-8-5-19(6-9-20)7-10-21-15(22)3-4-16(21)23/h1-2,12H,3-10H2.
What are the key properties of 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 47068773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).