2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid

C24H19N3O4 — CID 53371090

IUPAC2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C24H19N3O4/c28-21(25-23(24(30)31)17-8-2-1-3-9-17)15-27-22(29)14-13-20(26-27)19-12-6-10-16-7-4-5-11-18(16)19/h1-14,23H,15H2,(H,25,28)(H,30,31)
InChIKeyCLKMMBIMPPIPID-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.01
Rot. Bonds6

About 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid

2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 53371090) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID53371090
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C24H19N3O4/c28-21(25-23(24(30)31)17-8-2-1-3-9-17)15-27-22(29)14-13-20(26-27)19-12-6-10-16-7-4-5-11-18(16)19/h1-14,23H,15H2,(H,25,28)(H,30,31)
InChIKeyCLKMMBIMPPIPID-UHFFFAOYSA-N
XLogP3.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
2-[[2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-2-phenylacetic acid
CID 53370931
N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052176
2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-2-phenylacetic acid
CID 53369781
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052173
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 52899075
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 121052076
4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
CID 121052131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid (CID 53371090) is 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is CLKMMBIMPPIPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-21(25-23(24(30)31)17-8-2-1-3-9-17)15-27-22(29)14-13-20(26-27)19-12-6-10-16-7-4-5-11-18(16)19/h1-14,23H,15H2,(H,25,28)(H,30,31).
What are the key properties of 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid?
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 413.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 53371090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).