N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide

C22H23Cl2N5O2 — CID 23647376

IUPACN-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C22H23Cl2N5O2/c1-25-15-21(30)26-13-6-14-28(18-9-4-2-7-16(18)23)20-11-12-22(31)29(27-20)19-10-5-3-8-17(19)24/h2-5,7-12,25H,6,13-15H2,1H3,(H,26,30)
InChIKeyIWYYBVHHQRNVMT-UHFFFAOYSA-N
MW460.37 g/mol
LogP3.40
Rot. Bonds9

About N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide

N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide (PubChem CID 23647376) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide
PubChem CID23647376
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC NameN-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C22H23Cl2N5O2/c1-25-15-21(30)26-13-6-14-28(18-9-4-2-7-16(18)23)20-11-12-22(31)29(27-20)19-10-5-3-8-17(19)24/h2-5,7-12,25H,6,13-15H2,1H3,(H,26,30)
InChIKeyIWYYBVHHQRNVMT-UHFFFAOYSA-N
XLogP3.40
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)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-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide?
The IUPAC name of N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide (CID 23647376) is N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide is CNCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl.
What is the InChIKey of N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide?
The InChIKey is IWYYBVHHQRNVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-25-15-21(30)26-13-6-14-28(18-9-4-2-7-16(18)23)20-11-12-22(31)29(27-20)19-10-5-3-8-17(19)24/h2-5,7-12,25H,6,13-15H2,1H3,(H,26,30).
What are the key properties of N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide?
N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide has a molecular weight of 460.37 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]-2-(methylamino)acetamide is sourced from PubChem (CID 23647376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).