5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one

C19H18N4O3 — CID 68896107

IUPAC5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(=O)[nH]2)c1=O
InChIInChI=1S/C19H18N4O3/c1-3-23-19(26)18(21-14-10-7-11-15(25)20-14)16(12(2)24)17(22-23)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3,(H2,20,21,25)
InChIKeyJRXROSGLASUYLA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.56
Rot. Bonds5

About 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one

5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one (PubChem CID 68896107) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
PubChem CID68896107
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(=O)[nH]2)c1=O
InChIInChI=1S/C19H18N4O3/c1-3-23-19(26)18(21-14-10-7-11-15(25)20-14)16(12(2)24)17(22-23)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3,(H2,20,21,25)
InChIKeyJRXROSGLASUYLA-UHFFFAOYSA-N
XLogP2.56
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one (CID 68896107) is 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one is CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2cccc(=O)[nH]2)c1=O.
What is the InChIKey of 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one?
The InChIKey is JRXROSGLASUYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-23-19(26)18(21-14-10-7-11-15(25)20-14)16(12(2)24)17(22-23)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3,(H2,20,21,25).
What are the key properties of 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one?
5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one has a molecular weight of 350.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one is sourced from PubChem (CID 68896107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).