3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide

C9H11ClIN3O — CID 167869870

IUPAC3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide
SMILESCN(CCC(N)=O)c1ncc(Cl)cc1I
InChIInChI=1S/C9H11ClIN3O/c1-14(3-2-8(12)15)9-7(11)4-6(10)5-13-9/h4-5H,2-3H2,1H3,(H2,12,15)
InChIKeyFMZFHSZRMXJRFL-UHFFFAOYSA-N
MW339.56 g/mol
LogP1.65
Rot. Bonds4

About 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide

3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide (PubChem CID 167869870) has the molecular formula C9H11ClIN3O and a molecular weight of 339.56 g/mol. Its IUPAC name is 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide.

Molecular Properties

Compound Name3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide
PubChem CID167869870
Molecular FormulaC9H11ClIN3O
Molecular Weight339.56 g/mol
Exact Mass338.96
IUPAC Name3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide
SMILESCN(CCC(N)=O)c1ncc(Cl)cc1I
InChIInChI=1S/C9H11ClIN3O/c1-14(3-2-8(12)15)9-7(11)4-6(10)5-13-9/h4-5H,2-3H2,1H3,(H2,12,15)
InChIKeyFMZFHSZRMXJRFL-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide 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 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide?
The IUPAC name of 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide (CID 167869870) is 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide.
What is the SMILES notation for 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide?
The canonical SMILES for 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide is CN(CCC(N)=O)c1ncc(Cl)cc1I.
What is the InChIKey of 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide?
The InChIKey is FMZFHSZRMXJRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN3O/c1-14(3-2-8(12)15)9-7(11)4-6(10)5-13-9/h4-5H,2-3H2,1H3,(H2,12,15).
What are the key properties of 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide?
3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide has a molecular weight of 339.56 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide is sourced from PubChem (CID 167869870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).