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

C22H21N5 — CID 58229726

IUPAC2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Cc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H21N5/c23-16-18-13-21(26-22(14-18)27-10-8-24-9-11-27)19-6-7-25-20(15-19)12-17-4-2-1-3-5-17/h1-7,13-15,24H,8-12H2
InChIKeyRVRRNQVSGNFDML-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.02
Rot. Bonds4

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

2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile (PubChem CID 58229726) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
PubChem CID58229726
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Cc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H21N5/c23-16-18-13-21(26-22(14-18)27-10-8-24-9-11-27)19-6-7-25-20(15-19)12-17-4-2-1-3-5-17/h1-7,13-15,24H,8-12H2
InChIKeyRVRRNQVSGNFDML-UHFFFAOYSA-N
XLogP3.02
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanamine
CID 58229709
[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
CID 58229622
4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 24996534
5-benzyl-2-piperazin-1-ylbenzonitrile
CID 67676731
2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
CID 67083741
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861
4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 59777241
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
CID 118022265
1-(4-ethynyl-2-pyridinyl)piperazine
CID 131627287
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile (CID 58229726) is 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile is N#Cc1cc(-c2ccnc(Cc3ccccc3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
The InChIKey is RVRRNQVSGNFDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c23-16-18-13-21(26-22(14-18)27-10-8-24-9-11-27)19-6-7-25-20(15-19)12-17-4-2-1-3-5-17/h1-7,13-15,24H,8-12H2.
What are the key properties of 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile?
2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile has a molecular weight of 355.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carbonitrile is sourced from PubChem (CID 58229726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).