2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide

C23H23N5O3 — CID 133408645

IUPAC2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)Nc1ccccc1
InChIInChI=1S/C23H23N5O3/c29-22(24-19-9-5-2-6-10-19)17-26-13-15-27(16-14-26)21-12-11-20(28(30)31)23(25-21)18-7-3-1-4-8-18/h1-12H,13-17H2,(H,24,29)
InChIKeyPRWZVFOKQZXGLC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.42
Rot. Bonds6

About 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 133408645) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID133408645
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)Nc1ccccc1
InChIInChI=1S/C23H23N5O3/c29-22(24-19-9-5-2-6-10-19)17-26-13-15-27(16-14-26)21-12-11-20(28(30)31)23(25-21)18-7-3-1-4-8-18/h1-12H,13-17H2,(H,24,29)
InChIKeyPRWZVFOKQZXGLC-UHFFFAOYSA-N
XLogP3.42
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 133408202
1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133407191
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
1-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 133409312
1-[(5-chloro-2-pyridinyl)methyl]-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133465658
[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 133409452
3-methyl-5-[[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133408182
2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide
CID 31257866
4-(5-nitro-6-phenyl-2-pyridinyl)-1,4-thiazepane
CID 133409700
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
2-[3-hydroxy-1-(5-nitro-6-phenyl-2-pyridinyl)azetidin-3-yl]acetonitrile
CID 133497858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide (CID 133408645) is 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is PRWZVFOKQZXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-22(24-19-9-5-2-6-10-19)17-26-13-15-27(16-14-26)21-12-11-20(28(30)31)23(25-21)18-7-3-1-4-8-18/h1-12H,13-17H2,(H,24,29).
What are the key properties of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 417.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 133408645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).