N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide

C20H19ClN4O2 — CID 109122361

IUPACN-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1cccc(CCNc2ccc(C(=O)Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-7-2-4-14(12-17)10-11-22-19-9-8-18(24-25-19)20(26)23-16-6-3-5-15(21)13-16/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeySSEMHJYMRABCSN-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.05
Rot. Bonds7

About N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide

N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122361) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122361
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1cccc(CCNc2ccc(C(=O)Nc3cccc(Cl)c3)nn2)c1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-7-2-4-14(12-17)10-11-22-19-9-8-18(24-25-19)20(26)23-16-6-3-5-15(21)13-16/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeySSEMHJYMRABCSN-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

N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122382
N-(4-ethylphenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122354
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
N-(3-chlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115247
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122508
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (CID 109122361) is N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is COc1cccc(CCNc2ccc(C(=O)Nc3cccc(Cl)c3)nn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is SSEMHJYMRABCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-17-7-2-4-14(12-17)10-11-22-19-9-8-18(24-25-19)20(26)23-16-6-3-5-15(21)13-16/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide 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-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).