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

C23H24N4O4 — CID 50813235

IUPACN-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-15(2)22(29)25-20-13-19(16-7-5-4-6-8-16)26-27(23(20)30)14-21(28)24-17-9-11-18(31-3)12-10-17/h4-13,15H,14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDRYSAAXIOFKTNL-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.15
Rot. Bonds7

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

N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide (PubChem CID 50813235) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
PubChem CID50813235
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-15(2)22(29)25-20-13-19(16-7-5-4-6-8-16)26-27(23(20)30)14-21(28)24-17-9-11-18(31-3)12-10-17/h4-13,15H,14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDRYSAAXIOFKTNL-UHFFFAOYSA-N
XLogP3.15
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.15
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-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
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-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
CID 71698710
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953754
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
CID 95054506
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide (CID 50813235) is N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide is COc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(NC(=O)C(C)C)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
The InChIKey is DRYSAAXIOFKTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(2)22(29)25-20-13-19(16-7-5-4-6-8-16)26-27(23(20)30)14-21(28)24-17-9-11-18(31-3)12-10-17/h4-13,15H,14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide?
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide has a molecular weight of 420.47 g/mol, XLogP of 3.15, 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-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 50813235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).