(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile

C15H18N6O2 — CID 34528483

IUPAC(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@@H](C#N)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C15H18N6O2/c16-5-1-2-13(10-17)12-19-6-8-20(9-7-19)14-3-4-15(18-11-14)21(22)23/h3-4,11,13H,1-2,6-9,12H2/t13-/m0/s1
InChIKeyLRUOHGVMAKGLFZ-ZDUSSCGKSA-N
MW314.35 g/mol
LogP1.56
Rot. Bonds6

About (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile

(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile (PubChem CID 34528483) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile
PubChem CID34528483
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile
SMILESN#CCC[C@@H](C#N)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C15H18N6O2/c16-5-1-2-13(10-17)12-19-6-8-20(9-7-19)14-3-4-15(18-11-14)21(22)23/h3-4,11,13H,1-2,6-9,12H2/t13-/m0/s1
InChIKeyLRUOHGVMAKGLFZ-ZDUSSCGKSA-N
XLogP1.56
TPSA110.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]butanenitrile
CID 63343936
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 154640970
1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine
CID 121001014
3-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]propanethioamide
CID 82151150
methyl 2-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]acetate
CID 47027590
1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-4-(6-nitro-3-pyridinyl)piperazine
CID 34554737
ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
CID 122520396
(2R)-2-[[4-(5-fluoro-3-pyridinyl)-1,4-diazepan-1-yl]methyl]pentanedinitrile
CID 124881086
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
CID 169152785
CID 169152785
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile (CID 34528483) is (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile is N#CCC[C@@H](C#N)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1.
What is the InChIKey of (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile?
The InChIKey is LRUOHGVMAKGLFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N6O2/c16-5-1-2-13(10-17)12-19-6-8-20(9-7-19)14-3-4-15(18-11-14)21(22)23/h3-4,11,13H,1-2,6-9,12H2/t13-/m0/s1.
What are the key properties of (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile?
(2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile has a molecular weight of 314.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(6-nitro-3-pyridinyl)piperazin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 34528483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).