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

C17H19N5O3 — CID 133408202

IUPAC2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H19N5O3/c18-15(23)12-20-8-10-21(11-9-20)16-7-6-14(22(24)25)17(19-16)13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,18,23)
InChIKeyOGDNOVUXVKWFTK-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.26
Rot. Bonds5

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

2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 133408202) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID133408202
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H19N5O3/c18-15(23)12-20-8-10-21(11-9-20)16-7-6-14(22(24)25)17(19-16)13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,18,23)
InChIKeyOGDNOVUXVKWFTK-UHFFFAOYSA-N
XLogP1.26
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.26
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]-N-phenylacetamide
CID 133408645
1-methyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine
CID 133407191
N,N-dimethyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine-1-carboxamide
CID 133409262
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
1,3-dimethyl-5-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]pyrazol-4-amine
CID 133493134
[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
(4-methoxyphenyl)-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]methanone
CID 133408833
4-(5-nitro-6-phenyl-2-pyridinyl)-1,4-thiazepane
CID 133409700
6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitro-2-phenylpyridine
CID 133409043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide (CID 133408202) is 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is OGDNOVUXVKWFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c18-15(23)12-20-8-10-21(11-9-20)16-7-6-14(22(24)25)17(19-16)13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,18,23).
What are the key properties of 2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide?
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.26, 5 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]acetamide is sourced from PubChem (CID 133408202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).