2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H18BrN3O3 — CID 7663548

IUPAC2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H18BrN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)/t14-/m0/s1
InChIKeyRQCHLNUYZDDZSH-AWEZNQCLSA-N
MW392.25 g/mol
LogP1.97
Rot. Bonds5

About 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 7663548) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID7663548
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H18BrN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)/t14-/m0/s1
InChIKeyRQCHLNUYZDDZSH-AWEZNQCLSA-N
XLogP1.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 53006772
N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 7671768
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 16884877
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
N-(1,4-dioxan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 24981337
3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20918075
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2978035

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 7663548) is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is RQCHLNUYZDDZSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c18-13-5-3-12(4-6-13)15-7-8-17(23)21(20-15)11-16(22)19-10-14-2-1-9-24-14/h3-8,14H,1-2,9-11H2,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 392.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7663548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).