2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide

C17H18ClN3O4 — CID 24981338

IUPAC2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NCC1COCCO1
InChIInChI=1S/C17H18ClN3O4/c18-13-3-1-2-12(8-13)15-4-5-17(23)21(20-15)10-16(22)19-9-14-11-24-6-7-25-14/h1-5,8,14H,6-7,9-11H2,(H,19,22)
InChIKeyONPJOFZCHWLNCB-UHFFFAOYSA-N
MW363.80 g/mol
LogP1.10
Rot. Bonds5

About 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide

2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide (PubChem CID 24981338) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide
PubChem CID24981338
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide
SMILESO=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NCC1COCCO1
InChIInChI=1S/C17H18ClN3O4/c18-13-3-1-2-12(8-13)15-4-5-17(23)21(20-15)10-16(22)19-9-14-11-24-6-7-25-14/h1-5,8,14H,6-7,9-11H2,(H,19,22)
InChIKeyONPJOFZCHWLNCB-UHFFFAOYSA-N
XLogP1.10
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide (CID 24981338) is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide is O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NCC1COCCO1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
The InChIKey is ONPJOFZCHWLNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c18-13-3-1-2-12(8-13)15-4-5-17(23)21(20-15)10-16(22)19-9-14-11-24-6-7-25-14/h1-5,8,14H,6-7,9-11H2,(H,19,22).
What are the key properties of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide?
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,4-dioxan-2-ylmethyl)acetamide is sourced from PubChem (CID 24981338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).