2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

C19H19N5O3 — CID 121033306

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)n1
InChIInChI=1S/C19H19N5O3/c1-14-7-9-19(27)24(21-14)13-17(25)20-11-12-23-18(26)10-8-16(22-23)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,25)
InChIKeyFSPQYVABHOGGHD-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.59
Rot. Bonds6

About 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (PubChem CID 121033306) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
PubChem CID121033306
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)n1
InChIInChI=1S/C19H19N5O3/c1-14-7-9-19(27)24(21-14)13-17(25)20-11-12-23-18(26)10-8-16(22-23)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,25)
InChIKeyFSPQYVABHOGGHD-UHFFFAOYSA-N
XLogP0.59
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (CID 121033306) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is Cc1ccc(=O)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is FSPQYVABHOGGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-14-7-9-19(27)24(21-14)13-17(25)20-11-12-23-18(26)10-8-16(22-23)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,25).
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121033306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).