2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

C17H19N5O3 — CID 2932630

IUPAC2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccn1
InChIInChI=1S/C17H19N5O3/c23-17(19-16-3-1-2-8-18-16)13-20-9-11-21(12-10-20)14-4-6-15(7-5-14)22(24)25/h1-8H,9-13H2,(H,18,19,23)
InChIKeyJLUXAQQYENDYCX-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 2932630) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID2932630
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccn1
InChIInChI=1S/C17H19N5O3/c23-17(19-16-3-1-2-8-18-16)13-20-9-11-21(12-10-20)14-4-6-15(7-5-14)22(24)25/h1-8H,9-13H2,(H,18,19,23)
InChIKeyJLUXAQQYENDYCX-UHFFFAOYSA-N
XLogP1.75
TPSA91.61 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (CID 2932630) is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccn1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is JLUXAQQYENDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-17(19-16-3-1-2-8-18-16)13-20-9-11-21(12-10-20)14-4-6-15(7-5-14)22(24)25/h1-8H,9-13H2,(H,18,19,23).
What are the key properties of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 341.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 2932630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).