N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H19N3O3 — CID 71830901

IUPACN-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-26-17-12-19(25)23(22-20(17)16-10-6-3-7-11-16)14-18(24)21-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyRNEQXXXYFOBFQH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.24
Rot. Bonds6

About N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 71830901) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID71830901
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-26-17-12-19(25)23(22-20(17)16-10-6-3-7-11-16)14-18(24)21-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyRNEQXXXYFOBFQH-UHFFFAOYSA-N
XLogP2.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 91954627
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
N-benzyl-2-[7-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906367
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043150
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 20877615

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 71830901) is N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is COc1cc(=O)n(CC(=O)NCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is RNEQXXXYFOBFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-17-12-19(25)23(22-20(17)16-10-6-3-7-11-16)14-18(24)21-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 71830901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).