2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

C21H22N6O3 — CID 90545019

IUPAC2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(N3CCCC3)ncn2)n1
InChIInChI=1S/C21H22N6O3/c1-30-17-7-3-2-6-15(17)16-8-9-21(29)27(25-16)13-20(28)24-18-12-19(23-14-22-18)26-10-4-5-11-26/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,22,23,24,28)
InChIKeyFFIOAWCXUMUCLC-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.95
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90545019) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90545019
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(N3CCCC3)ncn2)n1
InChIInChI=1S/C21H22N6O3/c1-30-17-7-3-2-6-15(17)16-8-9-21(29)27(25-16)13-20(28)24-18-12-19(23-14-22-18)26-10-4-5-11-26/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,22,23,24,28)
InChIKeyFFIOAWCXUMUCLC-UHFFFAOYSA-N
XLogP1.95
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 71794946
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639
N-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662660
N-(3,4-dichlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662891
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7662654
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370217
N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050749
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (CID 90545019) is 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(N3CCCC3)ncn2)n1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is FFIOAWCXUMUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-30-17-7-3-2-6-15(17)16-8-9-21(29)27(25-16)13-20(28)24-18-12-19(23-14-22-18)26-10-4-5-11-26/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,22,23,24,28).
What are the key properties of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 406.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90545019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).