6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide

C16H12N4O2 — CID 39954188

IUPAC6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H12N4O2/c21-15-7-6-14(16(22)18-12-8-10-17-11-9-12)19-20(15)13-4-2-1-3-5-13/h1-11H,(H,17,18,22)
InChIKeyVHISPVCDZZNGAJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.88
Rot. Bonds3

About 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide

6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide (PubChem CID 39954188) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
PubChem CID39954188
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H12N4O2/c21-15-7-6-14(16(22)18-12-8-10-17-11-9-12)19-20(15)13-4-2-1-3-5-13/h1-11H,(H,17,18,22)
InChIKeyVHISPVCDZZNGAJ-UHFFFAOYSA-N
XLogP1.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide (CID 39954188) is 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide is O=C(Nc1ccncc1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide?
The InChIKey is VHISPVCDZZNGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-15-7-6-14(16(22)18-12-8-10-17-11-9-12)19-20(15)13-4-2-1-3-5-13/h1-11H,(H,17,18,22).
What are the key properties of 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide?
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 39954188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).