2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C18H21N3O4 — CID 3224469

IUPAC2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C18H21N3O4/c1-24-14-5-2-4-13(10-14)16-7-8-18(23)21(20-16)12-17(22)19-11-15-6-3-9-25-15/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,19,22)
InChIKeyHVXWTTDLPUONQF-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.21
Rot. Bonds6

About 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3224469) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3224469
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C18H21N3O4/c1-24-14-5-2-4-13(10-14)16-7-8-18(23)21(20-16)12-17(22)19-11-15-6-3-9-25-15/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,19,22)
InChIKeyHVXWTTDLPUONQF-UHFFFAOYSA-N
XLogP1.21
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 7671768
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 99731832
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
N-(1,4-dioxan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 24981337
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3224474
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
N-(2,3-dihydro-1H-inden-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044455

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 3224469) is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)NCC3CCCO3)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HVXWTTDLPUONQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-14-5-2-4-13(10-14)16-7-8-18(23)21(20-16)12-17(22)19-11-15-6-3-9-25-15/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3224469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).