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

C22H22N4O3 — CID 109122252

IUPACN-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccccc1CCNc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C22H22N4O3/c1-15(27)16-7-9-18(10-8-16)24-22(28)19-11-12-21(26-25-19)23-14-13-17-5-3-4-6-20(17)29-2/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyIUDFCLQAFNDMCM-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.59
Rot. Bonds8

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

N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (PubChem CID 109122252) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
PubChem CID109122252
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
SMILESCOc1ccccc1CCNc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C22H22N4O3/c1-15(27)16-7-9-18(10-8-16)24-22(28)19-11-12-21(26-25-19)23-14-13-17-5-3-4-6-20(17)29-2/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyIUDFCLQAFNDMCM-UHFFFAOYSA-N
XLogP3.59
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide (CID 109122252) is N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is COc1ccccc1CCNc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
The InChIKey is IUDFCLQAFNDMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)16-7-9-18(10-8-16)24-22(28)19-11-12-21(26-25-19)23-14-13-17-5-3-4-6-20(17)29-2/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).