3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide

C15H19N3O3 — CID 4281759

IUPAC3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1NC(c2ccc(OC)cc2)=CCC1=O
InChIInChI=1S/C15H19N3O3/c1-16-14(19)9-10-18-15(20)8-7-13(17-18)11-3-5-12(21-2)6-4-11/h3-7,17H,8-10H2,1-2H3,(H,16,19)
InChIKeySIRIDYXDFKDUQK-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.91
Rot. Bonds5

About 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide

3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide (PubChem CID 4281759) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
PubChem CID4281759
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1NC(c2ccc(OC)cc2)=CCC1=O
InChIInChI=1S/C15H19N3O3/c1-16-14(19)9-10-18-15(20)8-7-13(17-18)11-3-5-12(21-2)6-4-11/h3-7,17H,8-10H2,1-2H3,(H,16,19)
InChIKeySIRIDYXDFKDUQK-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
CID 4074598
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4301640
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 3303097
butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium
CID 3477391
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
2-[3-(azepan-1-yl)-3-oxopropyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 4307568
6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
CID 4118469
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 5060364
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide?
The IUPAC name of 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide (CID 4281759) is 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide?
The canonical SMILES for 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide is CNC(=O)CCN1NC(c2ccc(OC)cc2)=CCC1=O.
What is the InChIKey of 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide?
The InChIKey is SIRIDYXDFKDUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-16-14(19)9-10-18-15(20)8-7-13(17-18)11-3-5-12(21-2)6-4-11/h3-7,17H,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide?
3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide has a molecular weight of 289.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 4281759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).