5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide

C25H29Cl2N3O2Si — CID 171489763

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 171489763) has the molecular formula C25H29Cl2N3O2Si and a molecular weight of 502.52 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide
• PubChem CID: 171489763
• Molecular Formula: C25H29Cl2N3O2Si
• Molecular Weight: 502.52 g/mol
• Exact Mass: 501.14
• IUPAC Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide
• SMILES: Cc1c(NC(=O)c2ccc(CO[Si](C)(C)C(C)(C)C)cn2)cccc1-c1ccnc(Cl)c1Cl
• InChI: InChI=1S/C25H29Cl2N3O2Si/c1-16-18(19-12-13-28-23(27)22(19)26)8-7-9-20(16)30-24(31)21-11-10-17(14-29-21)15-32-33(5,6)25(2,3)4/h7-14H,15H2,1-6H3,(H,30,31)
• InChIKey: LCLVIMGTDFCDGX-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.52
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide?

The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide (CID 171489763) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CO[Si](C)(C)C(C)(C)C)cn2)cccc1-c1ccnc(Cl)c1Cl.

What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide?

The InChIKey is LCLVIMGTDFCDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O2Si/c1-16-18(19-12-13-28-23(27)22(19)26)8-7-9-20(16)30-24(31)21-11-10-17(14-29-21)15-32-33(5,6)25(2,3)4/h7-14H,15H2,1-6H3,(H,30,31).

What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide?

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 502.52 g/mol, XLogP of 7.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 171489763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).