tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate

C30H43N5O3Si — CID 154012475

About tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate

tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate (PubChem CID 154012475) has the molecular formula C30H43N5O3Si and a molecular weight of 549.79 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate
• PubChem CID: 154012475
• Molecular Formula: C30H43N5O3Si
• Molecular Weight: 549.79 g/mol
• Exact Mass: 549.31
• IUPAC Name: tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCNc1ccc(-c2ccnc(Nc3cccc(CO[Si](C)(C)C(C)(C)C)c3)c2)cn1
• InChI: InChI=1S/C30H43N5O3Si/c1-29(2,3)38-28(36)33-17-16-32-26-13-12-24(20-34-26)23-14-15-31-27(19-23)35-25-11-9-10-22(18-25)21-37-39(7,8)30(4,5)6/h9-15,18-20H,16-17,21H2,1-8H3,(H,31,35)(H,32,34)(H,33,36)
• InChIKey: GUGCHAGTQXVJQJ-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 97.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.79
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate (CID 154012475) is tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc(-c2ccnc(Nc3cccc(CO[Si](C)(C)C(C)(C)C)c3)c2)cn1.

What is the InChIKey of tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate?

The InChIKey is GUGCHAGTQXVJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O3Si/c1-29(2,3)38-28(36)33-17-16-32-26-13-12-24(20-34-26)23-14-15-31-27(19-23)35-25-11-9-10-22(18-25)21-37-39(7,8)30(4,5)6/h9-15,18-20H,16-17,21H2,1-8H3,(H,31,35)(H,32,34)(H,33,36).

What are the key properties of tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate?

tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate has a molecular weight of 549.79 g/mol, XLogP of 7.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]amino]ethyl]carbamate is sourced from PubChem (CID 154012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).