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

C21H19N5O2 — CID 109122382

IUPACN-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1cccc(CCNc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)c1
InChIInChI=1S/C21H19N5O2/c1-28-18-7-3-4-15(13-18)10-11-23-20-9-8-19(25-26-20)21(27)24-17-6-2-5-16(12-17)14-22/h2-9,12-13H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyNXODKOTYDCFYEU-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.26
Rot. Bonds7

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

N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122382) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122382
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1cccc(CCNc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)c1
InChIInChI=1S/C21H19N5O2/c1-28-18-7-3-4-15(13-18)10-11-23-20-9-8-19(25-26-20)21(27)24-17-6-2-5-16(12-17)14-22/h2-9,12-13H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyNXODKOTYDCFYEU-UHFFFAOYSA-N
XLogP3.26
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566
N-(4-ethylphenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122354
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001133
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (CID 109122382) is N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is COc1cccc(CCNc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is NXODKOTYDCFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-18-7-3-4-15(13-18)10-11-23-20-9-8-19(25-26-20)21(27)24-17-6-2-5-16(12-17)14-22/h2-9,12-13H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).