N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide

C6H10IN3O — CID 163871385

IUPACN-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CNI=N1
InChIInChI=1S/C6H10IN3O/c1-5(11)8-3-2-6-4-9-7-10-6/h4H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyPLCKQKHHQYBMAJ-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.03
Rot. Bonds3

About N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide

N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide (PubChem CID 163871385) has the molecular formula C6H10IN3O and a molecular weight of 267.07 g/mol. Its IUPAC name is N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide
PubChem CID163871385
Molecular FormulaC6H10IN3O
Molecular Weight267.07 g/mol
Exact Mass266.99
IUPAC NameN-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CNI=N1
InChIInChI=1S/C6H10IN3O/c1-5(11)8-3-2-6-4-9-7-10-6/h4H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyPLCKQKHHQYBMAJ-UHFFFAOYSA-N
XLogP1.03
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide (CID 163871385) is N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide is CC(=O)NCCC1=CNI=N1.
What is the InChIKey of N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide?
The InChIKey is PLCKQKHHQYBMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN3O/c1-5(11)8-3-2-6-4-9-7-10-6/h4H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide?
N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide has a molecular weight of 267.07 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1λ3-ioda-2,5-diazacyclopenta-1,3-dien-3-yl)ethyl]acetamide is sourced from PubChem (CID 163871385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).