2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide

C9H9ClN4O — CID 83073416

IUPAC2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
SMILESCC(Nc1cc(C#N)cc(Cl)n1)C(N)=O
InChIInChI=1S/C9H9ClN4O/c1-5(9(12)15)13-8-3-6(4-11)2-7(10)14-8/h2-3,5H,1H3,(H2,12,15)(H,13,14)
InChIKeyHDKQHZKJNVOUOI-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.89
Rot. Bonds3

About 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide

2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide (PubChem CID 83073416) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
PubChem CID83073416
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
SMILESCC(Nc1cc(C#N)cc(Cl)n1)C(N)=O
InChIInChI=1S/C9H9ClN4O/c1-5(9(12)15)13-8-3-6(4-11)2-7(10)14-8/h2-3,5H,1H3,(H2,12,15)(H,13,14)
InChIKeyHDKQHZKJNVOUOI-UHFFFAOYSA-N
XLogP0.89
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-chloro-4-cyano-2-pyridinyl)amino]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 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide (CID 83073416) is 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide is CC(Nc1cc(C#N)cc(Cl)n1)C(N)=O.
What is the InChIKey of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
The InChIKey is HDKQHZKJNVOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-5(9(12)15)13-8-3-6(4-11)2-7(10)14-8/h2-3,5H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide has a molecular weight of 224.65 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 83073416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).