2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide

C20H20N4O2 — CID 121100940

IUPAC2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)n1nc(-c2cccnc2)ccc1=O)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-14(16-7-4-3-5-8-16)22-20(26)15(2)24-19(25)11-10-18(23-24)17-9-6-12-21-13-17/h3-15H,1-2H3,(H,22,26)
InChIKeyZUSOFGRYIWJYAJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds5

About 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 121100940) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID121100940
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)n1nc(-c2cccnc2)ccc1=O)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-14(16-7-4-3-5-8-16)22-20(26)15(2)24-19(25)11-10-18(23-24)17-9-6-12-21-13-17/h3-15H,1-2H3,(H,22,26)
InChIKeyZUSOFGRYIWJYAJ-UHFFFAOYSA-N
XLogP2.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 121100867
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121076577
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100938
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101013
N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 121075800
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101075
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-oxothiolan-3-yl)propanamide
CID 121101028
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101040
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101067

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide (CID 121100940) is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)n1nc(-c2cccnc2)ccc1=O)c1ccccc1.
What is the InChIKey of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is ZUSOFGRYIWJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(16-7-4-3-5-8-16)22-20(26)15(2)24-19(25)11-10-18(23-24)17-9-6-12-21-13-17/h3-15H,1-2H3,(H,22,26).
What are the key properties of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 121100940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).