2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide

C23H24ClN3O4 — CID 46381669

IUPAC2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C23H24ClN3O4/c1-4-20(23(29)25-14-16-6-9-18(30-3)10-7-16)31-21-11-12-22(28)27(26-21)19-13-17(24)8-5-15(19)2/h5-13,20H,4,14H2,1-3H3,(H,25,29)
InChIKeyTWMGDCFHBQWMID-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.68
Rot. Bonds8

About 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide

2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 46381669) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID46381669
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C23H24ClN3O4/c1-4-20(23(29)25-14-16-6-9-18(30-3)10-7-16)31-21-11-12-22(28)27(26-21)19-13-17(24)8-5-15(19)2/h5-13,20H,4,14H2,1-3H3,(H,25,29)
InChIKeyTWMGDCFHBQWMID-UHFFFAOYSA-N
XLogP3.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.68
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-[(2,5-dimethoxyphenyl)methyl]butanamide
CID 92881120
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92881094
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
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2-ethoxyphenyl)butanamide
CID 46381681
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 46381615
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methylphenyl)methyl]butanamide
CID 92880726
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-ethylphenyl)propanamide
CID 92881183
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide (CID 46381669) is 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide is CCC(Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is TWMGDCFHBQWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-4-20(23(29)25-14-16-6-9-18(30-3)10-7-16)31-21-11-12-22(28)27(26-21)19-13-17(24)8-5-15(19)2/h5-13,20H,4,14H2,1-3H3,(H,25,29).
What are the key properties of 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide?
2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 441.92 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 46381669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).