(6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate

C42H53F2N5O6Si — CID 154420490

About (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate

(6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate (PubChem CID 154420490) has the molecular formula C42H53F2N5O6Si and a molecular weight of 790.00 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate
• PubChem CID: 154420490
• Molecular Formula: C42H53F2N5O6Si
• Molecular Weight: 790.00 g/mol
• Exact Mass: 789.37
• IUPAC Name: (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate
• SMILES: Cc1cccc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NCC(O[Si](C)(C)C(C)(C)C)C(F)(F)C(=O)NCCc3ccccc3C(C)C)c2=O)n1
• InChI: InChI=1S/C42H53F2N5O6Si/c1-28(2)33-20-13-12-16-30(33)23-24-45-39(52)42(43,44)36(55-56(7,8)41(4,5)6)25-46-37(50)26-49-35(31-17-10-9-11-18-31)22-21-34(38(49)51)48-40(53)54-27-32-19-14-15-29(3)47-32/h9-22,28,36H,23-27H2,1-8H3,(H,45,52)(H,46,50)(H,48,53)
• InChIKey: WNORJPBFHHVGFP-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 140.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.00
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate?

The IUPAC name of (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate (CID 154420490) is (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate.

What is the SMILES notation for (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate?

The canonical SMILES for (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate is Cc1cccc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NCC(O[Si](C)(C)C(C)(C)C)C(F)(F)C(=O)NCCc3ccccc3C(C)C)c2=O)n1.

What is the InChIKey of (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate?

The InChIKey is WNORJPBFHHVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H53F2N5O6Si/c1-28(2)33-20-13-12-16-30(33)23-24-45-39(52)42(43,44)36(55-56(7,8)41(4,5)6)25-46-37(50)26-49-35(31-17-10-9-11-18-31)22-21-34(38(49)51)48-40(53)54-27-32-19-14-15-29(3)47-32/h9-22,28,36H,23-27H2,1-8H3,(H,45,52)(H,46,50)(H,48,53).

What are the key properties of (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate?

(6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate has a molecular weight of 790.00 g/mol, XLogP of 7.59, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-2-pyridinyl)methyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-4-oxo-4-[2-(2-propan-2-ylphenyl)ethylamino]butyl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 154420490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).