6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C22H26N8O3 — CID 155270626

About 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 155270626) has the molecular formula C22H26N8O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 155270626
• Molecular Formula: C22H26N8O3
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.23
• IUPAC Name: 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(N2CCC(C)(C)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C22H26N8O3/c1-22(2)9-10-30(21(22)32)16-11-15(17(27-26-16)20(31)23-3)25-14-8-6-7-13(18(14)33-5)19-24-12-29(4)28-19/h6-8,11-12H,9-10H2,1-5H3,(H,23,31)(H,25,26)/i3D3
• InChIKey: NNKBTDNJKXKSEC-HPRDVNIFSA-N
• XLogP: 2.15
• TPSA: 127.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 155270626) is 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(N2CCC(C)(C)C2=O)cc1Nc1cccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is NNKBTDNJKXKSEC-HPRDVNIFSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-22(2)9-10-30(21(22)32)16-11-15(17(27-26-16)20(31)23-3)25-14-8-6-7-13(18(14)33-5)19-24-12-29(4)28-19/h6-8,11-12H,9-10H2,1-5H3,(H,23,31)(H,25,26)/i3D3.

What are the key properties of 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 155270626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).