2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile

C21H20N6 — CID 46901548

IUPAC2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H20N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h1-7,12-14,23H,8-11H2,(H,24,25)
InChIKeyHXYGELZVZAPWID-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.17
Rot. Bonds4

About 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile

2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile (PubChem CID 46901548) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
PubChem CID46901548
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H20N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h1-7,12-14,23H,8-11H2,(H,24,25)
InChIKeyHXYGELZVZAPWID-UHFFFAOYSA-N
XLogP3.17
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile (CID 46901548) is 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile is N#Cc1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
The InChIKey is HXYGELZVZAPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c22-15-16-12-19(26-21(13-16)27-10-8-23-9-11-27)17-6-7-24-20(14-17)25-18-4-2-1-3-5-18/h1-7,12-14,23H,8-11H2,(H,24,25).
What are the key properties of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile is sourced from PubChem (CID 46901548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).