N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C21H23N3O3 — CID 97266007

IUPACN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1
InChIInChI=1S/C21H23N3O3/c1-27-19-5-3-2-4-17(19)18-8-9-21(26)24(23-18)13-20(25)22-12-16-11-14-6-7-15(16)10-14/h2-9,14-16H,10-13H2,1H3,(H,22,25)/t14-,15+,16+/m1/s1
InChIKeyLRWTYMVGOKIRTD-PMPSAXMXSA-N
MW365.43 g/mol
LogP2.25
Rot. Bonds6

About N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 97266007) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID97266007
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1
InChIInChI=1S/C21H23N3O3/c1-27-19-5-3-2-4-17(19)18-8-9-21(26)24(23-18)13-20(25)22-12-16-11-14-6-7-15(16)10-14/h2-9,14-16H,10-13H2,1H3,(H,22,25)/t14-,15+,16+/m1/s1
InChIKeyLRWTYMVGOKIRTD-PMPSAXMXSA-N
XLogP2.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 99731738
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 99731838
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 99731832
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 98230198
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 645271
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-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050805

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 97266007) is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)n1.
What is the InChIKey of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is LRWTYMVGOKIRTD-PMPSAXMXSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-19-5-3-2-4-17(19)18-8-9-21(26)24(23-18)13-20(25)22-12-16-11-14-6-7-15(16)10-14/h2-9,14-16H,10-13H2,1H3,(H,22,25)/t14-,15+,16+/m1/s1.
What are the key properties of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 97266007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).