N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C22H19ClN4O2 — CID 53369148

IUPACN-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C22H19ClN4O2/c23-18-7-6-17-10-12-26(20(17)14-18)13-11-24-21(28)15-27-22(29)9-8-19(25-27)16-4-2-1-3-5-16/h1-10,12,14H,11,13,15H2,(H,24,28)
InChIKeyQXGUNZXFEGXNQH-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 53369148) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID53369148
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C22H19ClN4O2/c23-18-7-6-17-10-12-26(20(17)14-18)13-11-24-21(28)15-27-22(29)9-8-19(25-27)16-4-2-1-3-5-16/h1-10,12,14H,11,13,15H2,(H,24,28)
InChIKeyQXGUNZXFEGXNQH-UHFFFAOYSA-N
XLogP3.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413
N-(2,5-dichlorophenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 7659702
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4067221
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 71946742

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 53369148) is N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCn1ccc2ccc(Cl)cc21.
What is the InChIKey of N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is QXGUNZXFEGXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-7-6-17-10-12-26(20(17)14-18)13-11-24-21(28)15-27-22(29)9-8-19(25-27)16-4-2-1-3-5-16/h1-10,12,14H,11,13,15H2,(H,24,28).
What are the key properties of N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloroindol-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 53369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).