6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane

C43H53Cl3N10O6 — CID 162213612

About 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane

6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane (PubChem CID 162213612) has the molecular formula C43H53Cl3N10O6 and a molecular weight of 918.36 g/mol. Its IUPAC name is 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane.

Molecular Properties

• Compound Name: 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane
• PubChem CID: 162213612
• Molecular Formula: C43H53Cl3N10O6
• Molecular Weight: 918.36 g/mol
• Exact Mass: 916.36
• IUPAC Name: 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane
• SMILES: C.CCOC(C)n1ccc(-c2cccc(N)c2OC)n1.[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc(-c2ccn(C(C)OCC)n2)c1OC
• InChI: InChI=1S/C21H24ClN5O3.C14H19N3O2.C7H6Cl2N2O.CH4/c1-5-30-13(2)27-10-9-16(26-27)14-7-6-8-17(20(14)29-4)25-18-11-19(22)24-12-15(18)21(28)23-3;1-4-19-10(2)17-9-8-13(16-17)11-6-5-7-12(15)14(11)18-3;1-10-7(12)4-3-11-6(9)2-5(4)8;/h6-13H,5H2,1-4H3,(H,23,28)(H,24,25);5-10H,4,15H2,1-3H3;2-3H,1H3,(H,10,12);1H4/i3D3;;1D3
• InChIKey: ZTEJZQYKNYRQAL-OYHUONHVSA-N
• XLogP: 9.35
• TPSA: 194.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	918.36
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane?

The IUPAC name of 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane (CID 162213612) is 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane.

What is the SMILES notation for 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane?

The canonical SMILES for 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane is C.CCOC(C)n1ccc(-c2cccc(N)c2OC)n1.[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Cl.[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1Nc1cccc(-c2ccn(C(C)OCC)n2)c1OC.

What is the InChIKey of 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane?

The InChIKey is ZTEJZQYKNYRQAL-OYHUONHVSA-N. The full InChI is InChI=1S/C21H24ClN5O3.C14H19N3O2.C7H6Cl2N2O.CH4/c1-5-30-13(2)27-10-9-16(26-27)14-7-6-8-17(20(14)29-4)25-18-11-19(22)24-12-15(18)21(28)23-3;1-4-19-10(2)17-9-8-13(16-17)11-6-5-7-12(15)14(11)18-3;1-10-7(12)4-3-11-6(9)2-5(4)8;/h6-13H,5H2,1-4H3,(H,23,28)(H,24,25);5-10H,4,15H2,1-3H3;2-3H,1H3,(H,10,12);1H4/i3D3;;1D3;.

What are the key properties of 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane?

6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane has a molecular weight of 918.36 g/mol, XLogP of 9.35, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane is sourced from PubChem (CID 162213612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).