N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H19N3O4 — CID 110795817

About N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110795817) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• PubChem CID: 110795817
• Molecular Formula: C16H19N3O4
• Molecular Weight: 317.35 g/mol
• Exact Mass: 317.14
• IUPAC Name: N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
• SMILES: Cc1cc2c(cc1CCNC(=O)C1=NNC(=O)CC1)OCCO2
• InChI: InChI=1S/C16H19N3O4/c1-10-8-13-14(23-7-6-22-13)9-11(10)4-5-17-16(21)12-2-3-15(20)19-18-12/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20)
• InChIKey: PNBYNYZTXWJGRQ-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 89.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.35
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The IUPAC name of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110795817) is N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

What is the SMILES notation for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The canonical SMILES for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cc2c(cc1CCNC(=O)C1=NNC(=O)CC1)OCCO2.

What is the InChIKey of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

The InChIKey is PNBYNYZTXWJGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-8-13-14(23-7-6-22-13)9-11(10)4-5-17-16(21)12-2-3-15(20)19-18-12/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20).

What are the key properties of N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?

N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).