6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide

C28H41BN2O4Si — CID 90071631

About 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide

6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 90071631) has the molecular formula C28H41BN2O4Si and a molecular weight of 508.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 90071631
• Molecular Formula: C28H41BN2O4Si
• Molecular Weight: 508.54 g/mol
• Exact Mass: 508.29
• IUPAC Name: 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide
• SMILES: CC1(C)OB(c2cccc(NC(=O)c3ccc(C4CC4)nc3)c2CCC(C)(C)[Si](C)(C)O)OC1(C)C
• InChI: InChI=1S/C28H41BN2O4Si/c1-26(2,36(7,8)33)17-16-21-22(29-34-27(3,4)28(5,6)35-29)10-9-11-24(21)31-25(32)20-14-15-23(30-18-20)19-12-13-19/h9-11,14-15,18-19,33H,12-13,16-17H2,1-8H3,(H,31,32)
• InChIKey: HGFPXWZUJQSBMJ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 80.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.54
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide (CID 90071631) is 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide is CC1(C)OB(c2cccc(NC(=O)c3ccc(C4CC4)nc3)c2CCC(C)(C)[Si](C)(C)O)OC1(C)C.

What is the InChIKey of 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is HGFPXWZUJQSBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41BN2O4Si/c1-26(2,36(7,8)33)17-16-21-22(29-34-27(3,4)28(5,6)35-29)10-9-11-24(21)31-25(32)20-14-15-23(30-18-20)19-12-13-19/h9-11,14-15,18-19,33H,12-13,16-17H2,1-8H3,(H,31,32).

What are the key properties of 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?

6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 508.54 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90071631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).