N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

C16H18IN2O+ — CID 8877644

IUPACN-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IN2O/c1-2-3-13-8-10-19(11-9-13)12-16(20)18-15-6-4-14(17)5-7-15/h4-11H,2-3,12H2,1H3/p+1
InChIKeyZRAJTPPTKAXCMT-UHFFFAOYSA-O
MW381.24 g/mol
LogP3.17
Rot. Bonds5

About N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide

N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (PubChem CID 8877644) has the molecular formula C16H18IN2O+ and a molecular weight of 381.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
PubChem CID8877644
Molecular FormulaC16H18IN2O+
Molecular Weight381.24 g/mol
Exact Mass381.05
IUPAC NameN-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IN2O/c1-2-3-13-8-10-19(11-9-13)12-16(20)18-15-6-4-14(17)5-7-15/h4-11H,2-3,12H2,1H3/p+1
InChIKeyZRAJTPPTKAXCMT-UHFFFAOYSA-O
XLogP3.17
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)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

N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877264
butyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 8877385
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877610
N-(3-methoxyphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877598
N-(3-chloro-4-cyanophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877420
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8857926
2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877671
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
N-[2-(4-chlorophenyl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877328
N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877383

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide (CID 8877644) is N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is CCCc1cc[n+](CC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The InChIKey is ZRAJTPPTKAXCMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17IN2O/c1-2-3-13-8-10-19(11-9-13)12-16(20)18-15-6-4-14(17)5-7-15/h4-11H,2-3,12H2,1H3/p+1.
What are the key properties of N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide?
N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide has a molecular weight of 381.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8877644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).