2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile

C23H28N8O — CID 166234338

IUPAC2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)c1
InChIInChI=1S/C23H28N8O/c24-15-19-1-3-26-22(13-19)30-9-5-28(6-10-30)17-21(32)18-29-7-11-31(12-8-29)23-14-20(16-25)2-4-27-23/h1-4,13-14,21,32H,5-12,17-18H2
InChIKeySLVNFJJYQIOSFE-UHFFFAOYSA-N
MW432.53 g/mol
LogP0.53
Rot. Bonds6

About 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 166234338) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID166234338
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)c1
InChIInChI=1S/C23H28N8O/c24-15-19-1-3-26-22(13-19)30-9-5-28(6-10-30)17-21(32)18-29-7-11-31(12-8-29)23-14-20(16-25)2-4-27-23/h1-4,13-14,21,32H,5-12,17-18H2
InChIKeySLVNFJJYQIOSFE-UHFFFAOYSA-N
XLogP0.53
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55680044
2-[4-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 94407139
2-[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 94407142
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
4-[(2S)-2-hydroxy-3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]benzonitrile
CID 93251377
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
CID 151111745
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile
CID 55201410

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 166234338) is 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CC(O)CN3CCN(c4cc(C#N)ccn4)CC3)CC2)c1.
What is the InChIKey of 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is SLVNFJJYQIOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c24-15-19-1-3-26-22(13-19)30-9-5-28(6-10-30)17-21(32)18-29-7-11-31(12-8-29)23-14-20(16-25)2-4-27-23/h1-4,13-14,21,32H,5-12,17-18H2.
What are the key properties of 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 432.53 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 166234338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).