2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide

C21H29N3O3 — CID 51052238

IUPAC2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)NC(C)CCCC(C)C)n2)c1
InChIInChI=1S/C21H29N3O3/c1-15(2)7-5-8-16(3)22-20(25)14-24-21(26)12-11-19(23-24)17-9-6-10-18(13-17)27-4/h6,9-13,15-16H,5,7-8,14H2,1-4H3,(H,22,25)
InChIKeyKEBQMSGJHGKLHG-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.25
Rot. Bonds9

About 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 51052238) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
PubChem CID51052238
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)NC(C)CCCC(C)C)n2)c1
InChIInChI=1S/C21H29N3O3/c1-15(2)7-5-8-16(3)22-20(25)14-24-21(26)12-11-19(23-24)17-9-6-10-18(13-17)27-4/h6,9-13,15-16H,5,7-8,14H2,1-4H3,(H,22,25)
InChIKeyKEBQMSGJHGKLHG-UHFFFAOYSA-N
XLogP3.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3224474
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 52900099
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 51044931
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
CID 56728951
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044455
ethyl 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 7664984
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide (CID 51052238) is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)NC(C)CCCC(C)C)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is KEBQMSGJHGKLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(2)7-5-8-16(3)22-20(25)14-24-21(26)12-11-19(23-24)17-9-6-10-18(13-17)27-4/h6,9-13,15-16H,5,7-8,14H2,1-4H3,(H,22,25).
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 51052238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).