N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide

C21H28F3N5O2Si — CID 155632634

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)nc1
InChIInChI=1S/C21H28F3N5O2Si/c1-21(2,3)32(4,5)31-14-6-7-17(25-13-14)26-20(30)29-10-8-28(9-11-29)19-16(23)12-15(22)18(24)27-19/h6-7,12-13H,8-11H2,1-5H3,(H,25,26,30)
InChIKeyUXSGPPRRSIVIBL-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.63
Rot. Bonds4

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 155632634) has the molecular formula C21H28F3N5O2Si and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID155632634
Molecular FormulaC21H28F3N5O2Si
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)nc1
InChIInChI=1S/C21H28F3N5O2Si/c1-21(2,3)32(4,5)31-14-6-7-17(25-13-14)26-20(30)29-10-8-28(9-11-29)19-16(23)12-15(22)18(24)27-19/h6-7,12-13H,8-11H2,1-5H3,(H,25,26,30)
InChIKeyUXSGPPRRSIVIBL-UHFFFAOYSA-N
XLogP4.63
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide (CID 155632634) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is UXSGPPRRSIVIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O2Si/c1-21(2,3)32(4,5)31-14-6-7-17(25-13-14)26-20(30)29-10-8-28(9-11-29)19-16(23)12-15(22)18(24)27-19/h6-7,12-13H,8-11H2,1-5H3,(H,25,26,30).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5,6-trifluoro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 155632634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).