2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide

C16H14N4O2 — CID 702831

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
SMILESCc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12
InChIInChI=1S/C16H14N4O2/c1-11-12-6-2-3-7-13(12)16(22)20(19-11)10-15(21)18-14-8-4-5-9-17-14/h2-9H,10H2,1H3,(H,17,18,21)
InChIKeyQKNNREXRHLTDJI-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide (PubChem CID 702831) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
PubChem CID702831
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
SMILESCc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12
InChIInChI=1S/C16H14N4O2/c1-11-12-6-2-3-7-13(12)16(22)20(19-11)10-15(21)18-14-8-4-5-9-17-14/h2-9H,10H2,1H3,(H,17,18,21)
InChIKeyQKNNREXRHLTDJI-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide (CID 702831) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide is Cc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
The InChIKey is QKNNREXRHLTDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-12-6-2-3-7-13(12)16(22)20(19-11)10-15(21)18-14-8-4-5-9-17-14/h2-9H,10H2,1H3,(H,17,18,21).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide has a molecular weight of 294.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 702831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).