2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide

C25H28N6O — CID 117085115

IUPAC2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1cn(-c2ccc(Nc3cccc(N(C)C)c3)nn2)c2ccccc12
InChIInChI=1S/C25H28N6O/c1-4-14-26-25(32)15-18-17-31(22-11-6-5-10-21(18)22)24-13-12-23(28-29-24)27-19-8-7-9-20(16-19)30(2)3/h5-13,16-17H,4,14-15H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyWWCXJWPESPPAKB-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.30
Rot. Bonds8

About 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide

2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide (PubChem CID 117085115) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide
PubChem CID117085115
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1cn(-c2ccc(Nc3cccc(N(C)C)c3)nn2)c2ccccc12
InChIInChI=1S/C25H28N6O/c1-4-14-26-25(32)15-18-17-31(22-11-6-5-10-21(18)22)24-13-12-23(28-29-24)27-19-8-7-9-20(16-19)30(2)3/h5-13,16-17H,4,14-15H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyWWCXJWPESPPAKB-UHFFFAOYSA-N
XLogP4.30
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide?
The IUPAC name of 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide (CID 117085115) is 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1cn(-c2ccc(Nc3cccc(N(C)C)c3)nn2)c2ccccc12.
What is the InChIKey of 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide?
The InChIKey is WWCXJWPESPPAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-4-14-26-25(32)15-18-17-31(22-11-6-5-10-21(18)22)24-13-12-23(28-29-24)27-19-8-7-9-20(16-19)30(2)3/h5-13,16-17H,4,14-15H2,1-3H3,(H,26,32)(H,27,28).
What are the key properties of 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide?
2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide has a molecular weight of 428.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide is sourced from PubChem (CID 117085115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).