2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile

C20H24N6O — CID 56870834

IUPAC2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)c1
InChIInChI=1S/C20H24N6O/c21-14-16-4-7-23-20(13-16)26-8-5-17(18(27)15-26)24-9-11-25(12-10-24)19-3-1-2-6-22-19/h1-4,6-7,13,17-18,27H,5,8-12,15H2/t17-,18-/m1/s1
InChIKeyRRUARTMZTACCID-QZTJIDSGSA-N
MW364.45 g/mol
LogP1.11
Rot. Bonds3

About 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile

2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 56870834) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID56870834
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)c1
InChIInChI=1S/C20H24N6O/c21-14-16-4-7-23-20(13-16)26-8-5-17(18(27)15-26)24-9-11-25(12-10-24)19-3-1-2-6-22-19/h1-4,6-7,13,17-18,27H,5,8-12,15H2/t17-,18-/m1/s1
InChIKeyRRUARTMZTACCID-QZTJIDSGSA-N
XLogP1.11
TPSA79.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
(3R,4R)-1-(1,4-dithiepan-6-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 28737046
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
3-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CID 63087366
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 29256798
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
(3R,4R)-1-(3-methylsulfanylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 28784303
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
(3R,4R)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 26329721

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile (CID 56870834) is 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)c1.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RRUARTMZTACCID-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H24N6O/c21-14-16-4-7-23-20(13-16)26-8-5-17(18(27)15-26)24-9-11-25(12-10-24)19-3-1-2-6-22-19/h1-4,6-7,13,17-18,27H,5,8-12,15H2/t17-,18-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile?
2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56870834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).