2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C15H15Cl2N3O4 — CID 2460538

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1OC
InChIInChI=1S/C15H15Cl2N3O4/c1-23-11-4-3-9(5-12(11)24-2)6-18-13(21)8-20-15(22)14(17)10(16)7-19-20/h3-5,7H,6,8H2,1-2H3,(H,18,21)
InChIKeyPWLLRLDHXKFEFE-UHFFFAOYSA-N
MW372.21 g/mol
LogP1.88
Rot. Bonds6

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 2460538) has the molecular formula C15H15Cl2N3O4 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID2460538
Molecular FormulaC15H15Cl2N3O4
Molecular Weight372.21 g/mol
Exact Mass371.04
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1OC
InChIInChI=1S/C15H15Cl2N3O4/c1-23-11-4-3-9(5-12(11)24-2)6-18-13(21)8-20-15(22)14(17)10(16)7-19-20/h3-5,7H,6,8H2,1-2H3,(H,18,21)
InChIKeyPWLLRLDHXKFEFE-UHFFFAOYSA-N
XLogP1.88
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 2460538) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1OC.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is PWLLRLDHXKFEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O4/c1-23-11-4-3-9(5-12(11)24-2)6-18-13(21)8-20-15(22)14(17)10(16)7-19-20/h3-5,7H,6,8H2,1-2H3,(H,18,21).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 372.21 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2460538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).