N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C23H24FN3O4 — CID 91954627

IUPACN-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2nn(CC(=O)NCCCc3cccc(F)c3)c(=O)cc2OC)cc1
InChIInChI=1S/C23H24FN3O4/c1-30-19-10-8-17(9-11-19)23-20(31-2)14-22(29)27(26-23)15-21(28)25-12-4-6-16-5-3-7-18(24)13-16/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H,25,28)
InChIKeyRLCVNAFTTUVYKC-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.82
Rot. Bonds9

About N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 91954627) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID91954627
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2nn(CC(=O)NCCCc3cccc(F)c3)c(=O)cc2OC)cc1
InChIInChI=1S/C23H24FN3O4/c1-30-19-10-8-17(9-11-19)23-20(31-2)14-22(29)27(26-23)15-21(28)25-12-4-6-16-5-3-7-18(24)13-16/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H,25,28)
InChIKeyRLCVNAFTTUVYKC-UHFFFAOYSA-N
XLogP2.82
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 91954798
N-butyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938943
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
N-butyl-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830851
N-(2-methoxyethyl)-4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 71830846
methyl 2-[[2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetate
CID 91938956
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274
4-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)butanamide
CID 71830821
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
1-[3-(3-fluorophenyl)propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111835671
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121051159

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 91954627) is N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2nn(CC(=O)NCCCc3cccc(F)c3)c(=O)cc2OC)cc1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RLCVNAFTTUVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-30-19-10-8-17(9-11-19)23-20(31-2)14-22(29)27(26-23)15-21(28)25-12-4-6-16-5-3-7-18(24)13-16/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 425.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]-2-[4-methoxy-3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 91954627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).