N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide

C22H20ClN3O4 — CID 53106944

IUPACN-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C22H20ClN3O4/c1-13-4-7-17(23)12-19(13)26-21(28)11-10-20(25-26)30-15(3)22(29)24-18-8-5-16(6-9-18)14(2)27/h4-12,15H,1-3H3,(H,24,29)
InChIKeyAQBFZTNWLUDMBN-UHFFFAOYSA-N
MW425.87 g/mol
LogP3.80
Rot. Bonds6

About N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide

N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide (PubChem CID 53106944) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
PubChem CID53106944
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C22H20ClN3O4/c1-13-4-7-17(23)12-19(13)26-21(28)11-10-20(25-26)30-15(3)22(29)24-18-8-5-16(6-9-18)14(2)27/h4-12,15H,1-3H3,(H,24,29)
InChIKeyAQBFZTNWLUDMBN-UHFFFAOYSA-N
XLogP3.80
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methylphenyl)propanamide
CID 92881156
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2,5-dimethylphenyl)propanamide
CID 92881157
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
CID 92881183
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46381733
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4-dimethoxyphenyl)butanamide
CID 92881079
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 92881204
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880919
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
CID 46381681
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 46381669

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide (CID 53106944) is N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide is CC(=O)c1ccc(NC(=O)C(C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The InChIKey is AQBFZTNWLUDMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-13-4-7-17(23)12-19(13)26-21(28)11-10-20(25-26)30-15(3)22(29)24-18-8-5-16(6-9-18)14(2)27/h4-12,15H,1-3H3,(H,24,29).
What are the key properties of N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide?
N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide has a molecular weight of 425.87 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxypropanamide is sourced from PubChem (CID 53106944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).