6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile

C15H14N6O2 — CID 133271157

IUPAC6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nc1
InChIInChI=1S/C15H14N6O2/c16-9-12-1-3-14(17-10-12)19-5-7-20(8-6-19)15-4-2-13(11-18-15)21(22)23/h1-4,10-11H,5-8H2
InChIKeySOCNEWPUWFCSMR-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.58
Rot. Bonds3

About 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 133271157) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID133271157
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nc1
InChIInChI=1S/C15H14N6O2/c16-9-12-1-3-14(17-10-12)19-5-7-20(8-6-19)15-4-2-13(11-18-15)21(22)23/h1-4,10-11H,5-8H2
InChIKeySOCNEWPUWFCSMR-UHFFFAOYSA-N
XLogP1.58
TPSA99.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.58
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

6-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154640969
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
6-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 3859154
3-(5-nitro-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 71302762
4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carboxylic acid
CID 68559517
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine
CID 82143786
1-(2,4-dimethylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3713602
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
CID 118275346

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 133271157) is 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nc1.
What is the InChIKey of 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SOCNEWPUWFCSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c16-9-12-1-3-14(17-10-12)19-5-7-20(8-6-19)15-4-2-13(11-18-15)21(22)23/h1-4,10-11H,5-8H2.
What are the key properties of 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 310.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133271157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).