N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide

C20H25N3O6 — CID 7671768

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
SMILESCOc1cc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O6/c1-26-16-9-13(10-17(27-2)20(16)28-3)15-6-7-19(25)23(22-15)12-18(24)21-11-14-5-4-8-29-14/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyLJSAKQOEGLHXBO-AWEZNQCLSA-N
MW403.44 g/mol
LogP1.23
Rot. Bonds8

About N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide (PubChem CID 7671768) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
PubChem CID7671768
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
SMILESCOc1cc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O6/c1-26-16-9-13(10-17(27-2)20(16)28-3)15-6-7-19(25)23(22-15)12-18(24)21-11-14-5-4-8-29-14/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyLJSAKQOEGLHXBO-AWEZNQCLSA-N
XLogP1.23
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97458821
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
N-(1,4-dioxan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 24981337
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide (CID 7671768) is N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide is COc1cc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
The InChIKey is LJSAKQOEGLHXBO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-26-16-9-13(10-17(27-2)20(16)28-3)15-6-7-19(25)23(22-15)12-18(24)21-11-14-5-4-8-29-14/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 7671768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).