N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C17H16N6O2 — CID 108501653

IUPACN-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16N6O2/c18-12-13-4-1-2-5-14(13)21-15(24)16(25)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-11H2,(H,21,24)
InChIKeyZFJUYMZZPJIHIO-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.64
Rot. Bonds2

About N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108501653) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID108501653
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16N6O2/c18-12-13-4-1-2-5-14(13)21-15(24)16(25)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-11H2,(H,21,24)
InChIKeyZFJUYMZZPJIHIO-UHFFFAOYSA-N
XLogP0.64
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
N-(2-ethylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108530365
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222
N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108531684
N-(cyanomethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43315831
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N-(2-amino-5-methylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108531692
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
N-[2,6-di(propan-2-yl)phenyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108986194
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 108501653) is N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is N#Cc1ccccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is ZFJUYMZZPJIHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-12-13-4-1-2-5-14(13)21-15(24)16(25)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h1-7H,8-11H2,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108501653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).