2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide

C21H16N4O2 — CID 1125223

IUPAC2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccn1
InChIInChI=1S/C21H16N4O2/c26-19(23-18-12-6-7-13-22-18)14-25-21(27)17-11-5-4-10-16(17)20(24-25)15-8-2-1-3-9-15/h1-13H,14H2,(H,22,23,26)
InChIKeySUALPVNOMNHGST-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.10
Rot. Bonds4

About 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide

2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide (PubChem CID 1125223) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide
PubChem CID1125223
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccn1
InChIInChI=1S/C21H16N4O2/c26-19(23-18-12-6-7-13-22-18)14-25-21(27)17-11-5-4-10-16(17)20(24-25)15-8-2-1-3-9-15/h1-13H,14H2,(H,22,23,26)
InChIKeySUALPVNOMNHGST-UHFFFAOYSA-N
XLogP3.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide (CID 1125223) is 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccn1.
What is the InChIKey of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide?
The InChIKey is SUALPVNOMNHGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-19(23-18-12-6-7-13-22-18)14-25-21(27)17-11-5-4-10-16(17)20(24-25)15-8-2-1-3-9-15/h1-13H,14H2,(H,22,23,26).
What are the key properties of 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide?
2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide has a molecular weight of 356.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenylphthalazin-2-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1125223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).