6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide

C21H22N4O3 — CID 109122307

IUPAC6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccccc3OC)nn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-7-16(8-10-17)23-20-12-11-18(24-25-20)21(26)22-14-13-15-5-3-4-6-19(15)28-2/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMSEJGIFBWOTQIK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.21
Rot. Bonds8

About 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide

6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122307) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122307
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccccc3OC)nn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-9-7-16(8-10-17)23-20-12-11-18(24-25-20)21(26)22-14-13-15-5-3-4-6-19(15)28-2/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMSEJGIFBWOTQIK-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-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122035
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124675
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide (CID 109122307) is 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NCCc3ccccc3OC)nn2)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is MSEJGIFBWOTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-9-7-16(8-10-17)23-20-12-11-18(24-25-20)21(26)22-14-13-15-5-3-4-6-19(15)28-2/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
6-(4-methoxyanilino)-N-[2-(2-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-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).