2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide

C20H25N3O3 — CID 91772406

IUPAC2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NC(Cc2ccccc2)C2CC(O)C2)nc1C
InChIInChI=1S/C20H25N3O3/c1-13-8-20(26)23(22-14(13)2)12-19(25)21-18(16-10-17(24)11-16)9-15-6-4-3-5-7-15/h3-8,16-18,24H,9-12H2,1-2H3,(H,21,25)
InChIKeyUUNWPMGRHHWPLW-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.36
Rot. Bonds6

About 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide

2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide (PubChem CID 91772406) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
PubChem CID91772406
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NC(Cc2ccccc2)C2CC(O)C2)nc1C
InChIInChI=1S/C20H25N3O3/c1-13-8-20(26)23(22-14(13)2)12-19(25)21-18(16-10-17(24)11-16)9-15-6-4-3-5-7-15/h3-8,16-18,24H,9-12H2,1-2H3,(H,21,25)
InChIKeyUUNWPMGRHHWPLW-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide (CID 91772406) is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide is Cc1cc(=O)n(CC(=O)NC(Cc2ccccc2)C2CC(O)C2)nc1C.
What is the InChIKey of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
The InChIKey is UUNWPMGRHHWPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-8-20(26)23(22-14(13)2)12-19(25)21-18(16-10-17(24)11-16)9-15-6-4-3-5-7-15/h3-8,16-18,24H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide?
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide is sourced from PubChem (CID 91772406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).