N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide

C20H25N3O3 — CID 122277868

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCCn2nc(C3CC3)ccc2=O)c1
InChIInChI=1S/C20H25N3O3/c1-13-4-5-14(2)18(12-13)26-15(3)20(25)21-10-11-23-19(24)9-8-17(22-23)16-6-7-16/h4-5,8-9,12,15-16H,6-7,10-11H2,1-3H3,(H,21,25)
InChIKeyGNYHXQFOCNBWAQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide (PubChem CID 122277868) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide
PubChem CID122277868
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCCn2nc(C3CC3)ccc2=O)c1
InChIInChI=1S/C20H25N3O3/c1-13-4-5-14(2)18(12-13)26-15(3)20(25)21-10-11-23-19(24)9-8-17(22-23)16-6-7-16/h4-5,8-9,12,15-16H,6-7,10-11H2,1-3H3,(H,21,25)
InChIKeyGNYHXQFOCNBWAQ-UHFFFAOYSA-N
XLogP2.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121034335
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 121058977
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121119981
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277848
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90539005
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 121120140

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide (CID 122277868) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OC(C)C(=O)NCCn2nc(C3CC3)ccc2=O)c1.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide?
The InChIKey is GNYHXQFOCNBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-4-5-14(2)18(12-13)26-15(3)20(25)21-10-11-23-19(24)9-8-17(22-23)16-6-7-16/h4-5,8-9,12,15-16H,6-7,10-11H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 122277868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).