N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C16H19N3O2 — CID 5053342

IUPACN-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-3-12(2)17-15(20)11-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,17,20)
InChIKeyRKXCCSXUHJVRDK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.83
Rot. Bonds5

About N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 5053342) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID5053342
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-3-12(2)17-15(20)11-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,17,20)
InChIKeyRKXCCSXUHJVRDK-UHFFFAOYSA-N
XLogP1.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 5053342) is N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is RKXCCSXUHJVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-12(2)17-15(20)11-19-16(21)10-9-14(18-19)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,17,20).
What are the key properties of N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 5053342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).