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

C21H21Cl2N5O2 — CID 23647375

IUPAC2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide
SMILESNCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C21H21Cl2N5O2/c22-15-6-1-3-8-17(15)27(13-5-12-25-20(29)14-24)19-10-11-21(30)28(26-19)18-9-4-2-7-16(18)23/h1-4,6-11H,5,12-14,24H2,(H,25,29)
InChIKeyYQQSWNABYSVERP-UHFFFAOYSA-N
MW446.34 g/mol
LogP3.14
Rot. Bonds8

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

2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide (PubChem CID 23647375) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide
PubChem CID23647375
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC Name2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide
SMILESNCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C21H21Cl2N5O2/c22-15-6-1-3-8-17(15)27(13-5-12-25-20(29)14-24)19-10-11-21(30)28(26-19)18-9-4-2-7-16(18)23/h1-4,6-11H,5,12-14,24H2,(H,25,29)
InChIKeyYQQSWNABYSVERP-UHFFFAOYSA-N
XLogP3.14
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide?
The IUPAC name of 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide (CID 23647375) is 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide is NCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl.
What is the InChIKey of 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide?
The InChIKey is YQQSWNABYSVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c22-15-6-1-3-8-17(15)27(13-5-12-25-20(29)14-24)19-10-11-21(30)28(26-19)18-9-4-2-7-16(18)23/h1-4,6-11H,5,12-14,24H2,(H,25,29).
What are the key properties of 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide?
2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide has a molecular weight of 446.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-chloro-N-[1-(2-chlorophenyl)-6-oxopyridazin-3-yl]anilino)propyl]acetamide is sourced from PubChem (CID 23647375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).