6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide

C20H20N4O2 — CID 109117781

IUPAC6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C20H20N4O2/c1-2-26-18-11-7-6-10-16(18)22-20(25)17-12-13-19(24-23-17)21-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIUKCVEGLKNXZIH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.74
Rot. Bonds7

About 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide

6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109117781) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109117781
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C20H20N4O2/c1-2-26-18-11-7-6-10-16(18)22-20(25)17-12-13-19(24-23-17)21-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIUKCVEGLKNXZIH-UHFFFAOYSA-N
XLogP3.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127965
N-(2-ethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191680
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
CID 53108666
N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370402

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide (CID 109117781) is 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide is CCOc1ccccc1NC(=O)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is IUKCVEGLKNXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-18-11-7-6-10-16(18)22-20(25)17-12-13-19(24-23-17)21-14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).