4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane

C68H83N23O11 — CID 158334375

About 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane

4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane (PubChem CID 158334375) has the molecular formula C68H83N23O11 and a molecular weight of 1398.56 g/mol. Its IUPAC name is 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane.

Molecular Properties

• Compound Name: 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane
• PubChem CID: 158334375
• Molecular Formula: C68H83N23O11
• Molecular Weight: 1398.56 g/mol
• Exact Mass: 1397.66
• IUPAC Name: 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane
• SMILES: CCO.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nnc(C)o2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)CN)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)OC)c1C.COC(C)(OC)OC.NN
• InChI: InChI=1S/C21H20N8O2.C20H21N7O2.C20H20N6O3.C5H12O3.C2H6O.H4N2/c1-12-14(21-29-26-13(2)31-21)7-6-8-15(12)24-16-11-18(25-17-9-4-5-10-23-17)27-28-19(16)20(30)22-3;1-12-13(16(28)11-21)6-5-7-14(12)24-15-10-18(25-17-8-3-4-9-23-17)26-27-19(15)20(29)22-2;1-12-13(20(28)29-3)7-6-8-14(12)23-15-11-17(24-16-9-4-5-10-22-16)25-26-18(15)19(27)21-2;1-5(6-2,7-3)8-4;1-2-3;1-2/h4-11H,1-3H3,(H,22,30)(H2,23,24,25,27);3-10H,11,21H2,1-2H3,(H,22,29)(H2,23,24,25,26);4-11H,1-3H3,(H,21,27)(H2,22,23,24,25);1-4H3;3H,2H2,1H3;1-2H2
• InChIKey: GQKAHEMZKIIZQD-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 483.76 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1398.56
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane?

The IUPAC name of 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane (CID 158334375) is 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane.

What is the SMILES notation for 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane?

The canonical SMILES for 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane is CCO.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nnc(C)o2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)CN)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)OC)c1C.COC(C)(OC)OC.NN.

What is the InChIKey of 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane?

The InChIKey is GQKAHEMZKIIZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2.C20H21N7O2.C20H20N6O3.C5H12O3.C2H6O.H4N2/c1-12-14(21-29-26-13(2)31-21)7-6-8-15(12)24-16-11-18(25-17-9-4-5-10-23-17)27-28-19(16)20(30)22-3;1-12-13(16(28)11-21)6-5-7-14(12)24-15-10-18(25-17-8-3-4-9-23-17)26-27-19(15)20(29)22-2;1-12-13(20(28)29-3)7-6-8-14(12)23-15-11-17(24-16-9-4-5-10-22-16)25-26-18(15)19(27)21-2;1-5(6-2,7-3)8-4;1-2-3;1-2/h4-11H,1-3H3,(H,22,30)(H2,23,24,25,27);3-10H,11,21H2,1-2H3,(H,22,29)(H2,23,24,25,26);4-11H,1-3H3,(H,21,27)(H2,22,23,24,25);1-4H3;3H,2H2,1H3;1-2H2.

What are the key properties of 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane?

4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane has a molecular weight of 1398.56 g/mol, XLogP of 7.78, 22 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane is sourced from PubChem (CID 158334375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).