2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

C20H21N5O3 — CID 121064460

IUPAC2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-2-16-12-20(28)24(14-22-16)13-18(26)21-10-11-25-19(27)9-8-17(23-25)15-6-4-3-5-7-15/h3-9,12,14H,2,10-11,13H2,1H3,(H,21,26)
InChIKeyBCFDFBYHCPHAHQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.85
Rot. Bonds7

About 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (PubChem CID 121064460) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
PubChem CID121064460
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-2-16-12-20(28)24(14-22-16)13-18(26)21-10-11-25-19(27)9-8-17(23-25)15-6-4-3-5-7-15/h3-9,12,14H,2,10-11,13H2,1H3,(H,21,26)
InChIKeyBCFDFBYHCPHAHQ-UHFFFAOYSA-N
XLogP0.85
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121064463
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033620
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (CID 121064460) is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is CCc1cc(=O)n(CC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cn1.
What is the InChIKey of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is BCFDFBYHCPHAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-16-12-20(28)24(14-22-16)13-18(26)21-10-11-25-19(27)9-8-17(23-25)15-6-4-3-5-7-15/h3-9,12,14H,2,10-11,13H2,1H3,(H,21,26).
What are the key properties of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121064460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).