N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide

C21H19N5O2 — CID 109122261

IUPACN-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccccc1CCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C21H19N5O2/c1-28-19-5-3-2-4-16(19)12-13-23-20-11-10-18(25-26-20)21(27)24-17-8-6-15(14-22)7-9-17/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyVKHLJTBMYTVYEG-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.26
Rot. Bonds7

About N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide

N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122261) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122261
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccccc1CCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C21H19N5O2/c1-28-19-5-3-2-4-16(19)12-13-23-20-11-10-18(25-26-20)21(27)24-17-8-6-15(14-22)7-9-17/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyVKHLJTBMYTVYEG-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

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Related Compounds

N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122252
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122382
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
N-(2,5-dimethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121963
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (CID 109122261) is N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is COc1ccccc1CCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is VKHLJTBMYTVYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-19-5-3-2-4-16(19)12-13-23-20-11-10-18(25-26-20)21(27)24-17-8-6-15(14-22)7-9-17/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
N-(4-cyanophenyl)-6-[2-(2-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-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).