6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile

C16H19N7 — CID 56815524

IUPAC6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCN2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C16H19N7/c17-12-14-2-3-15(21-13-14)18-6-7-22-8-10-23(11-9-22)16-19-4-1-5-20-16/h1-5,13H,6-11H2,(H,18,21)
InChIKeyMJCGMKQFHALCGK-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.98
Rot. Bonds5

About 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile

6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 56815524) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID56815524
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCN2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C16H19N7/c17-12-14-2-3-15(21-13-14)18-6-7-22-8-10-23(11-9-22)16-19-4-1-5-20-16/h1-5,13H,6-11H2,(H,18,21)
InChIKeyMJCGMKQFHALCGK-UHFFFAOYSA-N
XLogP0.98
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile (CID 56815524) is 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCN2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is MJCGMKQFHALCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c17-12-14-2-3-15(21-13-14)18-6-7-22-8-10-23(11-9-22)16-19-4-1-5-20-16/h1-5,13H,6-11H2,(H,18,21).
What are the key properties of 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 309.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 56815524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).