4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide

C18H20Cl2N4O2 — CID 154721643

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C18H20Cl2N4O2/c19-15-12-22-24(18(26)16(15)20)14-6-4-13(5-7-14)17(25)21-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11H2,(H,21,25)
InChIKeyOMFVAWGFOUWANA-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.76
Rot. Bonds5

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 154721643) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID154721643
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C18H20Cl2N4O2/c19-15-12-22-24(18(26)16(15)20)14-6-4-13(5-7-14)17(25)21-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11H2,(H,21,25)
InChIKeyOMFVAWGFOUWANA-UHFFFAOYSA-N
XLogP2.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2439209
N-(2-{2-[4-(acetylamino)benzylidene]hydrazino}-2-oxoethyl)benzamide
CID 6862820
4-acetamido-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 18129566
N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
CID 44581972
N-[5-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-phenylbenzamide
CID 44581973
N-[4-({(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}carbonyl)phenyl]benzamide
CID 6881273
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 2204667
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide
CID 2470212
N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)benzamide
CID 25669201
2-[2-[4-(4-Acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 40146401
US10239861, Example 43
CID 121476432

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide (CID 154721643) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is OMFVAWGFOUWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-15-12-22-24(18(26)16(15)20)14-6-4-13(5-7-14)17(25)21-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11H2,(H,21,25).
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 395.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 154721643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).