N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C24H26N4O5 — CID 16885171

IUPACN-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(NC(C)=O)ccc3OC)n2)cc1
InChIInChI=1S/C24H26N4O5/c1-16(29)25-18-8-12-22(33-3)21(15-18)26-23(30)5-4-14-28-24(31)13-11-20(27-28)17-6-9-19(32-2)10-7-17/h6-13,15H,4-5,14H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyLPGNOAWEQOLTFT-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.30
Rot. Bonds9

About N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885171) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885171
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(NC(C)=O)ccc3OC)n2)cc1
InChIInChI=1S/C24H26N4O5/c1-16(29)25-18-8-12-22(33-3)21(15-18)26-23(30)5-4-14-28-24(31)13-11-20(27-28)17-6-9-19(32-2)10-7-17/h6-13,15H,4-5,14H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyLPGNOAWEQOLTFT-UHFFFAOYSA-N
XLogP3.30
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885167
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885783
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16884696
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885044
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)butanamide
CID 16884833
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885171) is N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(NC(C)=O)ccc3OC)n2)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is LPGNOAWEQOLTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-16(29)25-18-8-12-22(33-3)21(15-18)26-23(30)5-4-14-28-24(31)13-11-20(27-28)17-6-9-19(32-2)10-7-17/h6-13,15H,4-5,14H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 450.50 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).