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

C20H26BrN3O2 — CID 52900099

IUPAC2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide
SMILESCC(C)CCC[C@H](C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C20H26BrN3O2/c1-14(2)5-4-6-15(3)22-19(25)13-24-20(26)12-11-18(23-24)16-7-9-17(21)10-8-16/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyQAAQEOJTPCGTBY-HNNXBMFYSA-N
MW420.35 g/mol
LogP4.00
Rot. Bonds8

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

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide (PubChem CID 52900099) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide
PubChem CID52900099
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide
SMILESCC(C)CCC[C@H](C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C20H26BrN3O2/c1-14(2)5-4-6-15(3)22-19(25)13-24-20(26)12-11-18(23-24)16-7-9-17(21)10-8-16/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyQAAQEOJTPCGTBY-HNNXBMFYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
CID 56728951
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
(2R)-2-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 95395343
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 46923304
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide (CID 52900099) is 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide is CC(C)CCC[C@H](C)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide?
The InChIKey is QAAQEOJTPCGTBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-14(2)5-4-6-15(3)22-19(25)13-24-20(26)12-11-18(23-24)16-7-9-17(21)10-8-16/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide?
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide has a molecular weight of 420.35 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 52900099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).