2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile

C16H14ClN7 — CID 2764493

IUPAC2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N2CCN(c3cccc(Cl)n3)CC2)nc1N
InChIInChI=1S/C16H14ClN7/c17-13-2-1-3-14(21-13)23-4-6-24(7-5-23)16-12(10-19)8-11(9-18)15(20)22-16/h1-3,8H,4-7H2,(H2,20,22)
InChIKeyLUXHROLGPZZXIX-UHFFFAOYSA-N
MW339.79 g/mol
LogP1.78
Rot. Bonds2

About 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile

2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile (PubChem CID 2764493) has the molecular formula C16H14ClN7 and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile
PubChem CID2764493
Molecular FormulaC16H14ClN7
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC Name2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(N2CCN(c3cccc(Cl)n3)CC2)nc1N
InChIInChI=1S/C16H14ClN7/c17-13-2-1-3-14(21-13)23-4-6-24(7-5-23)16-12(10-19)8-11(9-18)15(20)22-16/h1-3,8H,4-7H2,(H2,20,22)
InChIKeyLUXHROLGPZZXIX-UHFFFAOYSA-N
XLogP1.78
TPSA105.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile (CID 2764493) is 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(N2CCN(c3cccc(Cl)n3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile?
The InChIKey is LUXHROLGPZZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7/c17-13-2-1-3-14(21-13)23-4-6-24(7-5-23)16-12(10-19)8-11(9-18)15(20)22-16/h1-3,8H,4-7H2,(H2,20,22).
What are the key properties of 2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile?
2-amino-6-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile has a molecular weight of 339.79 g/mol, XLogP of 1.78, 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-(6-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2764493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).