N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C17H21N3O3 — CID 656237

IUPACN-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)18-15(21)11-20-16(22)10-9-13(19-20)12-7-5-6-8-14(12)23-4/h5-10H,11H2,1-4H3,(H,18,21)
InChIKeyVSAVUPPKKJIXCP-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.83
Rot. Bonds4

About N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 656237) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID656237
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C17H21N3O3/c1-17(2,3)18-15(21)11-20-16(22)10-9-13(19-20)12-7-5-6-8-14(12)23-4/h5-10H,11H2,1-4H3,(H,18,21)
InChIKeyVSAVUPPKKJIXCP-UHFFFAOYSA-N
XLogP1.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 656237) is N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is VSAVUPPKKJIXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)18-15(21)11-20-16(22)10-9-13(19-20)12-7-5-6-8-14(12)23-4/h5-10H,11H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 656237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).