N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C18H20ClN3O5 — CID 24630307

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 24630307) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
• PubChem CID: 24630307
• Molecular Formula: C18H20ClN3O5
• Molecular Weight: 393.83 g/mol
• Exact Mass: 393.11
• IUPAC Name: N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
• SMILES: COCCn1nc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1=O
• InChI: InChI=1S/C18H20ClN3O5/c1-25-7-6-22-16(23)3-2-14(21-22)18(24)20-5-4-12-10-13(19)17-15(11-12)26-8-9-27-17/h2-3,10-11H,4-9H2,1H3,(H,20,24)
• InChIKey: QKURHXVJNPTHCZ-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.83
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?

The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 24630307) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1=O.

What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?

The InChIKey is QKURHXVJNPTHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5/c1-25-7-6-22-16(23)3-2-14(21-22)18(24)20-5-4-12-10-13(19)17-15(11-12)26-8-9-27-17/h2-3,10-11H,4-9H2,1H3,(H,20,24).

What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24630307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).