N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide

C24H24N4O4 — CID 50813236

IUPACN-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-15(2)23(31)26-21-13-20(18-7-5-4-6-8-18)27-28(24(21)32)14-22(30)25-19-11-9-17(10-12-19)16(3)29/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyWRCVOFBFWWPZPM-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.35
Rot. Bonds7

About N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide

N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide (PubChem CID 50813236) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
PubChem CID50813236
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-15(2)23(31)26-21-13-20(18-7-5-4-6-8-18)27-28(24(21)32)14-22(30)25-19-11-9-17(10-12-19)16(3)29/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyWRCVOFBFWWPZPM-UHFFFAOYSA-N
XLogP3.35
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813235
N-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
CID 50813202
N-[2-[2-(3-bromoanilino)-2-oxoethyl]-6-(4-methylphenyl)-3-oxopyridazin-4-yl]-2-methylpropanamide
CID 50813237
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
CID 95054506
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125
N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
CID 50812970
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide (CID 50813236) is N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide is CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
The InChIKey is WRCVOFBFWWPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15(2)23(31)26-21-13-20(18-7-5-4-6-8-18)27-28(24(21)32)14-22(30)25-19-11-9-17(10-12-19)16(3)29/h4-13,15H,14H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide has a molecular weight of 432.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 50813236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).