3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide

C18H19N5O4 — CID 7974770

IUPAC3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O4/c24-17(13-20-18(25)14-4-3-5-15(12-14)23(26)27)22-10-8-21(9-11-22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,25)
InChIKeyFLZIQKNRQOQAMX-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.07
Rot. Bonds5

About 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide

3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 7974770) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID7974770
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O4/c24-17(13-20-18(25)14-4-3-5-15(12-14)23(26)27)22-10-8-21(9-11-22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,25)
InChIKeyFLZIQKNRQOQAMX-UHFFFAOYSA-N
XLogP1.07
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.07
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

3-nitro-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 27809919
3-nitro-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974769
2-(3-nitrophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 30834037
N-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-nitrobenzamide
CID 46654836
5-nitro-2-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]benzonitrile
CID 133279346
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
3-nitro-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]ethyl]benzamide
CID 55975384
3-(2-fluoro-4-nitroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133279316
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
3-nitro-N-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]benzamide
CID 55682830
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 7974770) is 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is FLZIQKNRQOQAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c24-17(13-20-18(25)14-4-3-5-15(12-14)23(26)27)22-10-8-21(9-11-22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,25).
What are the key properties of 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide?
3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 7974770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).