2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide

C17H16N4O4 — CID 71705829

IUPAC2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
SMILESCOc1ccc2cnn(CC(=O)Nc3ccccn3)c(=O)c2c1OC
InChIInChI=1S/C17H16N4O4/c1-24-12-7-6-11-9-19-21(17(23)15(11)16(12)25-2)10-14(22)20-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H,18,20,22)
InChIKeyHUCHRZFKGMJTNV-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.45
Rot. Bonds5

About 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide (PubChem CID 71705829) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
PubChem CID71705829
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
SMILESCOc1ccc2cnn(CC(=O)Nc3ccccn3)c(=O)c2c1OC
InChIInChI=1S/C17H16N4O4/c1-24-12-7-6-11-9-19-21(17(23)15(11)16(12)25-2)10-14(22)20-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H,18,20,22)
InChIKeyHUCHRZFKGMJTNV-UHFFFAOYSA-N
XLogP1.45
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide (CID 71705829) is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide is COc1ccc2cnn(CC(=O)Nc3ccccn3)c(=O)c2c1OC.
What is the InChIKey of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
The InChIKey is HUCHRZFKGMJTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-24-12-7-6-11-9-19-21(17(23)15(11)16(12)25-2)10-14(22)20-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H,18,20,22).
What are the key properties of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide has a molecular weight of 340.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 71705829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).