2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile

C21H26N6 — CID 46901547

IUPAC2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H26N6/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/h6-7,12-14,18,23H,1-5,8-11H2,(H,24,25)
InChIKeyVJHWVSYYFZRUEK-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile

2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile (PubChem CID 46901547) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile
PubChem CID46901547
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H26N6/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/h6-7,12-14,18,23H,1-5,8-11H2,(H,24,25)
InChIKeyVJHWVSYYFZRUEK-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 ≤ 500362.48
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-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile (CID 46901547) is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile is N#Cc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
The InChIKey is VJHWVSYYFZRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/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/h6-7,12-14,18,23H,1-5,8-11H2,(H,24,25).
What are the key properties of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile?
2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile has a molecular weight of 362.48 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-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carbonitrile is sourced from PubChem (CID 46901547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).