N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide

C16H18N4O4 — CID 121079674

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)n1ncccc1=O
InChIInChI=1S/C16H18N4O4/c1-10(20-15(22)5-4-8-17-20)16(23)19-13-9-12(18-11(2)21)6-7-14(13)24-3/h4-10H,1-3H3,(H,18,21)(H,19,23)
InChIKeyWWZSYOWZTGOLJL-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.41
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide

N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 121079674) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID121079674
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)n1ncccc1=O
InChIInChI=1S/C16H18N4O4/c1-10(20-15(22)5-4-8-17-20)16(23)19-13-9-12(18-11(2)21)6-7-14(13)24-3/h4-10H,1-3H3,(H,18,21)(H,19,23)
InChIKeyWWZSYOWZTGOLJL-UHFFFAOYSA-N
XLogP1.41
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517903
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
CID 121079689
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide (CID 121079674) is N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide is COc1ccc(NC(C)=O)cc1NC(=O)C(C)n1ncccc1=O.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is WWZSYOWZTGOLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10(20-15(22)5-4-8-17-20)16(23)19-13-9-12(18-11(2)21)6-7-14(13)24-3/h4-10H,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 121079674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).