N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

C11H14IN3O2 — CID 66309281

IUPACN-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CCCC1
InChIInChI=1S/C11H14IN3O2/c12-9-5-13-7-15(11(9)17)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyMHCBOMUKHHCEBW-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.91
Rot. Bonds3

About N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66309281) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66309281
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CCCC1
InChIInChI=1S/C11H14IN3O2/c12-9-5-13-7-15(11(9)17)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyMHCBOMUKHHCEBW-UHFFFAOYSA-N
XLogP0.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66309281) is N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cncc(I)c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is MHCBOMUKHHCEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c12-9-5-13-7-15(11(9)17)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16).
What are the key properties of N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 347.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66309281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).