2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

C18H22N6O3 — CID 60545132

IUPAC2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6O3/c25-17(14-15-4-1-2-5-16(15)24(26)27)19-8-9-22-10-12-23(13-11-22)18-20-6-3-7-21-18/h1-7H,8-14H2,(H,19,25)
InChIKeyOQZIBYVOAWGUNX-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.87
Rot. Bonds7

About 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (PubChem CID 60545132) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
PubChem CID60545132
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H22N6O3/c25-17(14-15-4-1-2-5-16(15)24(26)27)19-8-9-22-10-12-23(13-11-22)18-20-6-3-7-21-18/h1-7H,8-14H2,(H,19,25)
InChIKeyOQZIBYVOAWGUNX-UHFFFAOYSA-N
XLogP0.87
TPSA104.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
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'}

Analyze 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55933323
2-(1-benzofuran-3-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 139755694
2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 134003510
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60569299
N'-methyl-N-[(2-nitrophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206927
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 55992238
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
4-bromo-2-nitro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]aniline
CID 55831081
2-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 55922845
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (CID 60545132) is 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is OQZIBYVOAWGUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-17(14-15-4-1-2-5-16(15)24(26)27)19-8-9-22-10-12-23(13-11-22)18-20-6-3-7-21-18/h1-7H,8-14H2,(H,19,25).
What are the key properties of 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 60545132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).