N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

C23H16N4O2 — CID 121052176

IUPACN-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1
InChIInChI=1S/C23H16N4O2/c24-14-16-8-10-18(11-9-16)25-22(28)15-27-23(29)13-12-21(26-27)20-7-3-5-17-4-1-2-6-19(17)20/h1-13H,15H2,(H,25,28)
InChIKeyXQHRAYZQYASXKA-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.57
Rot. Bonds4

About N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 121052176) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID121052176
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC NameN-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1
InChIInChI=1S/C23H16N4O2/c24-14-16-8-10-18(11-9-16)25-22(28)15-27-23(29)13-12-21(26-27)20-7-3-5-17-4-1-2-6-19(17)20/h1-13H,15H2,(H,25,28)
InChIKeyXQHRAYZQYASXKA-UHFFFAOYSA-N
XLogP3.57
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
CID 121052131
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 121052076
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052134
N-(4-cyanophenyl)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-oxopyridazin-1-yl]acetamide
CID 167897019
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-(4-chlorophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662883
2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-phenylacetamide
CID 53331147

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (CID 121052176) is N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is N#Cc1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is XQHRAYZQYASXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c24-14-16-8-10-18(11-9-16)25-22(28)15-27-23(29)13-12-21(26-27)20-7-3-5-17-4-1-2-6-19(17)20/h1-13H,15H2,(H,25,28).
What are the key properties of N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 380.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 121052176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).