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

C21H22N4O2 — CID 109122525

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3ccccc3C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-5-3-4-6-18(15)23-20-12-11-19(24-25-20)21(26)22-14-13-16-7-9-17(27-2)10-8-16/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyNOURTQFAOAEBJP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.51
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109122525) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
PubChem CID109122525
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3ccccc3C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-5-3-4-6-18(15)23-20-12-11-19(24-25-20)21(26)22-14-13-16-7-9-17(27-2)10-8-16/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyNOURTQFAOAEBJP-UHFFFAOYSA-N
XLogP3.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122555
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide (CID 109122525) is N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(Nc3ccccc3C)nn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is NOURTQFAOAEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-3-4-6-18(15)23-20-12-11-19(24-25-20)21(26)22-14-13-16-7-9-17(27-2)10-8-16/h3-12H,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).