2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile

C16H15N7 — CID 2765322

IUPAC2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1N
InChIInChI=1S/C16H15N7/c17-10-12-9-13(11-18)16(21-15(12)19)23-7-5-22(6-8-23)14-3-1-2-4-20-14/h1-4,9H,5-8H2,(H2,19,21)
InChIKeyHLNNKQLCUWHCKE-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.13
Rot. Bonds2

About 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile

2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile (PubChem CID 2765322) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile
PubChem CID2765322
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1N
InChIInChI=1S/C16H15N7/c17-10-12-9-13(11-18)16(21-15(12)19)23-7-5-22(6-8-23)14-3-1-2-4-20-14/h1-4,9H,5-8H2,(H2,19,21)
InChIKeyHLNNKQLCUWHCKE-UHFFFAOYSA-N
XLogP1.13
TPSA105.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile (CID 2765322) is 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1N.
What is the InChIKey of 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is HLNNKQLCUWHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c17-10-12-9-13(11-18)16(21-15(12)19)23-7-5-22(6-8-23)14-3-1-2-4-20-14/h1-4,9H,5-8H2,(H2,19,21).
What are the key properties of 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 305.35 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2765322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).