N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide

C15H16ClN3O — CID 14280299

IUPACN-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C15H16ClN3O/c1-3-15(20)19(4-2)12-7-5-6-11(10-12)13-8-9-14(16)18-17-13/h5-10H,3-4H2,1-2H3
InChIKeyHLFYOIKYALUEDV-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.56
Rot. Bonds4

About N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide

N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide (PubChem CID 14280299) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide
PubChem CID14280299
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1cccc(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C15H16ClN3O/c1-3-15(20)19(4-2)12-7-5-6-11(10-12)13-8-9-14(16)18-17-13/h5-10H,3-4H2,1-2H3
InChIKeyHLFYOIKYALUEDV-UHFFFAOYSA-N
XLogP3.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide 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-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide?
The IUPAC name of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide (CID 14280299) is N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide.
What is the SMILES notation for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide?
The canonical SMILES for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide is CCC(=O)N(CC)c1cccc(-c2ccc(Cl)nn2)c1.
What is the InChIKey of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide?
The InChIKey is HLFYOIKYALUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-15(20)19(4-2)12-7-5-6-11(10-12)13-8-9-14(16)18-17-13/h5-10H,3-4H2,1-2H3.
What are the key properties of N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide?
N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide has a molecular weight of 289.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloropyridazin-3-yl)phenyl]-N-ethylpropanamide is sourced from PubChem (CID 14280299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).