N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H19IN4O2 — CID 108516460

IUPACN-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19IN4O2/c1-13-12-14(19)5-6-15(13)21-17(24)18(25)23-10-8-22(9-11-23)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyJNVGSZJMPPAXPG-UHFFFAOYSA-N
MW450.28 g/mol
LogP2.28
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108516460) has the molecular formula C18H19IN4O2 and a molecular weight of 450.28 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID108516460
Molecular FormulaC18H19IN4O2
Molecular Weight450.28 g/mol
Exact Mass450.06
IUPAC NameN-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19IN4O2/c1-13-12-14(19)5-6-15(13)21-17(24)18(25)23-10-8-22(9-11-23)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyJNVGSZJMPPAXPG-UHFFFAOYSA-N
XLogP2.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108502327
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
N-(4-chloro-2-methylphenyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978954
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
CID 108532151
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902700
N-[4-(hydroxyamino)-2-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 134593260
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43316315

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 108516460) is N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1cc(I)ccc1NC(=O)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is JNVGSZJMPPAXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN4O2/c1-13-12-14(19)5-6-15(13)21-17(24)18(25)23-10-8-22(9-11-23)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 450.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108516460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).