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

C21H22N4O3 — CID 109122427

IUPAC6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Nc3ccccc3OC)nn2)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-7-5-6-15(14-16)12-13-22-21(26)18-10-11-20(25-24-18)23-17-8-3-4-9-19(17)28-2/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyAPSMBNNQQVKXTR-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.21
Rot. Bonds8

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

6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122427) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122427
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Nc3ccccc3OC)nn2)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-7-5-6-15(14-16)12-13-22-21(26)18-10-11-20(25-24-18)23-17-8-3-4-9-19(17)28-2/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyAPSMBNNQQVKXTR-UHFFFAOYSA-N
XLogP3.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
6-(4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122416
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122035
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide (CID 109122427) is 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide is COc1cccc(CCNC(=O)c2ccc(Nc3ccccc3OC)nn2)c1.
What is the InChIKey of 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is APSMBNNQQVKXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-16-7-5-6-15(14-16)12-13-22-21(26)18-10-11-20(25-24-18)23-17-8-3-4-9-19(17)28-2/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).