N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine

C25H35N5OSi — CID 123791101

IUPACN'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(Nc2cc(-c3ccc(NCCN)nc3)ccn2)c1
InChIInChI=1S/C25H35N5OSi/c1-25(2,3)32(4,5)31-18-19-7-6-8-22(15-19)30-24-16-20(11-13-27-24)21-9-10-23(29-17-21)28-14-12-26/h6-11,13,15-17H,12,14,18,26H2,1-5H3,(H,27,30)(H,28,29)
InChIKeyUJJDTSXUMJHXLP-UHFFFAOYSA-N
MW449.68 g/mol
LogP5.78
Rot. Bonds9

About N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine

N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 123791101) has the molecular formula C25H35N5OSi and a molecular weight of 449.68 g/mol. Its IUPAC name is N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID123791101
Molecular FormulaC25H35N5OSi
Molecular Weight449.68 g/mol
Exact Mass449.26
IUPAC NameN'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(Nc2cc(-c3ccc(NCCN)nc3)ccn2)c1
InChIInChI=1S/C25H35N5OSi/c1-25(2,3)32(4,5)31-18-19-7-6-8-22(15-19)30-24-16-20(11-13-27-24)21-9-10-23(29-17-21)28-14-12-26/h6-11,13,15-17H,12,14,18,26H2,1-5H3,(H,27,30)(H,28,29)
InChIKeyUJJDTSXUMJHXLP-UHFFFAOYSA-N
XLogP5.78
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine (CID 123791101) is N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine is CC(C)(C)[Si](C)(C)OCc1cccc(Nc2cc(-c3ccc(NCCN)nc3)ccn2)c1.
What is the InChIKey of N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is UJJDTSXUMJHXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5OSi/c1-25(2,3)32(4,5)31-18-19-7-6-8-22(15-19)30-24-16-20(11-13-27-24)21-9-10-23(29-17-21)28-14-12-26/h6-11,13,15-17H,12,14,18,26H2,1-5H3,(H,27,30)(H,28,29).
What are the key properties of N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 449.68 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-4-pyridinyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 123791101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).