2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide

C15H17N3O2 — CID 5057313

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H17N3O2/c1-11(2)16-14(19)10-18-15(20)9-8-13(17-18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,19)
InChIKeyHYDCWONKAKMSKM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.43
Rot. Bonds4

About 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide

2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 5057313) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
PubChem CID5057313
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H17N3O2/c1-11(2)16-14(19)10-18-15(20)9-8-13(17-18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,19)
InChIKeyHYDCWONKAKMSKM-UHFFFAOYSA-N
XLogP1.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124615249
(2S)-4-methylsulfanyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 51048855
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide (CID 5057313) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is HYDCWONKAKMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(2)16-14(19)10-18-15(20)9-8-13(17-18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,19).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide?
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 271.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 5057313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).