N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide

C21H30FN5O2Si — CID 155632632

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3cc(F)ccn3)CC2)nc1
InChIInChI=1S/C21H30FN5O2Si/c1-21(2,3)30(4,5)29-17-6-7-18(24-15-17)25-20(28)27-12-10-26(11-13-27)19-14-16(22)8-9-23-19/h6-9,14-15H,10-13H2,1-5H3,(H,24,25,28)
InChIKeyQSPGUNPRCXKWHR-UHFFFAOYSA-N
MW431.59 g/mol
LogP4.35
Rot. Bonds4

About N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 155632632) has the molecular formula C21H30FN5O2Si and a molecular weight of 431.59 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID155632632
Molecular FormulaC21H30FN5O2Si
Molecular Weight431.59 g/mol
Exact Mass431.22
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3cc(F)ccn3)CC2)nc1
InChIInChI=1S/C21H30FN5O2Si/c1-21(2,3)30(4,5)29-17-6-7-18(24-15-17)25-20(28)27-12-10-26(11-13-27)19-14-16(22)8-9-23-19/h6-9,14-15H,10-13H2,1-5H3,(H,24,25,28)
InChIKeyQSPGUNPRCXKWHR-UHFFFAOYSA-N
XLogP4.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide (CID 155632632) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3cc(F)ccn3)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is QSPGUNPRCXKWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O2Si/c1-21(2,3)30(4,5)29-17-6-7-18(24-15-17)25-20(28)27-12-10-26(11-13-27)19-14-16(22)8-9-23-19/h6-9,14-15H,10-13H2,1-5H3,(H,24,25,28).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 431.59 g/mol, XLogP of 4.35, 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-(4-fluoro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 155632632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).