N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide

C25H28N4O3 — CID 41376649

IUPACN-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C25H28N4O3/c1-32-23-8-4-3-7-20(23)17-26-24(30)18-29-25(31)14-13-22(27-29)19-9-11-21(12-10-19)28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,26,30)
InChIKeyOUYBUXSKKQHZTI-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.23
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide (PubChem CID 41376649) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
PubChem CID41376649
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C25H28N4O3/c1-32-23-8-4-3-7-20(23)17-26-24(30)18-29-25(31)14-13-22(27-29)19-9-11-21(12-10-19)28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,26,30)
InChIKeyOUYBUXSKKQHZTI-UHFFFAOYSA-N
XLogP3.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376654
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53371201
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 7664012
1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 27451050
N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832232
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
N-(2,6-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 43816144
2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 7658874

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide (CID 41376649) is N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide is COc1ccccc1CNC(=O)Cn1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
The InChIKey is OUYBUXSKKQHZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-32-23-8-4-3-7-20(23)17-26-24(30)18-29-25(31)14-13-22(27-29)19-9-11-21(12-10-19)28-15-5-2-6-16-28/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,26,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 41376649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).