2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C24H24N4O4 — CID 3224479

IUPAC2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)c1
InChIInChI=1S/C24H24N4O4/c1-32-20-6-4-5-18(15-20)21-11-12-23(30)28(26-21)16-22(29)25-19-9-7-17(8-10-19)24(31)27-13-2-3-14-27/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,29)
InChIKeyIZBVQFRKJHFGBX-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.79
Rot. Bonds6

About 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 3224479) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID3224479
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)c1
InChIInChI=1S/C24H24N4O4/c1-32-20-6-4-5-18(15-20)21-11-12-23(30)28(26-21)16-22(29)25-19-9-7-17(8-10-19)24(31)27-13-2-3-14-27/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,29)
InChIKeyIZBVQFRKJHFGBX-UHFFFAOYSA-N
XLogP2.79
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 3224479) is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is IZBVQFRKJHFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-32-20-6-4-5-18(15-20)21-11-12-23(30)28(26-21)16-22(29)25-19-9-7-17(8-10-19)24(31)27-13-2-3-14-27/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,29).
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 3224479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).