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

C13H18IN3O2 — CID 66308214

IUPACN-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CCCCCC1
InChIInChI=1S/C13H18IN3O2/c14-11-7-15-9-17(13(11)19)8-12(18)16-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,16,18)
InChIKeyBNLAATVPDQDGEX-UHFFFAOYSA-N
MW375.21 g/mol
LogP1.69
Rot. Bonds3

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

N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308214) has the molecular formula C13H18IN3O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308214
Molecular FormulaC13H18IN3O2
Molecular Weight375.21 g/mol
Exact Mass375.04
IUPAC NameN-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NC1CCCCCC1
InChIInChI=1S/C13H18IN3O2/c14-11-7-15-9-17(13(11)19)8-12(18)16-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,16,18)
InChIKeyBNLAATVPDQDGEX-UHFFFAOYSA-N
XLogP1.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-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-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66308214) is N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cncc(I)c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is BNLAATVPDQDGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O2/c14-11-7-15-9-17(13(11)19)8-12(18)16-10-5-3-1-2-4-6-10/h7,9-10H,1-6,8H2,(H,16,18).
What are the key properties of N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 375.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66308214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).