N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide

C20H24ClN3O2 — CID 18569732

IUPACN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H24ClN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)13-12-22-19(25)14-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14H2,(H,22,25)
InChIKeyJQSZCZMWRFTOBW-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.65
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide (PubChem CID 18569732) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide
PubChem CID18569732
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H24ClN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)13-12-22-19(25)14-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14H2,(H,22,25)
InChIKeyJQSZCZMWRFTOBW-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569655
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
CID 121059131
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3617292
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516017
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968372
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-ethoxypropyl)propanamide
CID 5046319
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121059174
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 97147749

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide (CID 18569732) is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide?
The InChIKey is JQSZCZMWRFTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)13-12-22-19(25)14-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14H2,(H,22,25).
What are the key properties of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide?
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide has a molecular weight of 373.88 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 18569732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).