N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide

C20H19ClN4O2 — CID 113043306

IUPACN-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-5-3-2-4-16(17)20(26)23-19-11-10-18(24-25-19)22-13-12-14-6-8-15(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyLERBPOMHNJIELF-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.05
Rot. Bonds7

About N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide

N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide (PubChem CID 113043306) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
PubChem CID113043306
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-5-3-2-4-16(17)20(26)23-19-11-10-18(24-25-19)22-13-12-14-6-8-15(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyLERBPOMHNJIELF-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044650
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
2-(2-methoxyphenoxy)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042355
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
N-[4-[2-(3-chlorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112985705
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-[6-[2-(4-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113042583
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide (CID 113043306) is N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(NCCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide?
The InChIKey is LERBPOMHNJIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-17-5-3-2-4-16(17)20(26)23-19-11-10-18(24-25-19)22-13-12-14-6-8-15(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide?
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide has a molecular weight of 382.85 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 113043306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).