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

C23H26N4O2 — CID 109120582

IUPACN-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCCc2cccc(OC)c2)nn1
InChIInChI=1S/C23H26N4O2/c1-3-27(17-19-8-5-4-6-9-19)23(28)21-12-13-22(26-25-21)24-15-14-18-10-7-11-20(16-18)29-2/h4-13,16H,3,14-15,17H2,1-2H3,(H,24,26)
InChIKeyPUGIUDWTVPQVBN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.80
Rot. Bonds9

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

N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109120582) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109120582
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCCc2cccc(OC)c2)nn1
InChIInChI=1S/C23H26N4O2/c1-3-27(17-19-8-5-4-6-9-19)23(28)21-12-13-22(26-25-21)24-15-14-18-10-7-11-20(16-18)29-2/h4-13,16H,3,14-15,17H2,1-2H3,(H,24,26)
InChIKeyPUGIUDWTVPQVBN-UHFFFAOYSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
(4-ethylpiperazin-1-yl)-[6-[2-(3-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109116645
N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109110994
N-(4-ethylphenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122354
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-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (CID 109120582) is N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NCCc2cccc(OC)c2)nn1.
What is the InChIKey of N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is PUGIUDWTVPQVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-27(17-19-8-5-4-6-9-19)23(28)21-12-13-22(26-25-21)24-15-14-18-10-7-11-20(16-18)29-2/h4-13,16H,3,14-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109120582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).