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

C21H29F2N5O2Si — CID 155632639

IUPACN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ncc(F)cc3F)CC2)nc1
InChIInChI=1S/C21H29F2N5O2Si/c1-21(2,3)31(4,5)30-16-6-7-18(24-14-16)26-20(29)28-10-8-27(9-11-28)19-17(23)12-15(22)13-25-19/h6-7,12-14H,8-11H2,1-5H3,(H,24,26,29)
InChIKeyHWNNEIISAVOEHI-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.49
Rot. Bonds4

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

N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 155632639) has the molecular formula C21H29F2N5O2Si and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID155632639
Molecular FormulaC21H29F2N5O2Si
Molecular Weight449.58 g/mol
Exact Mass449.21
IUPAC NameN-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ncc(F)cc3F)CC2)nc1
InChIInChI=1S/C21H29F2N5O2Si/c1-21(2,3)31(4,5)30-16-6-7-18(24-14-16)26-20(29)28-10-8-27(9-11-28)19-17(23)12-15(22)13-25-19/h6-7,12-14H,8-11H2,1-5H3,(H,24,26,29)
InChIKeyHWNNEIISAVOEHI-UHFFFAOYSA-N
XLogP4.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 132224223
CID 132224223
CID 135125853
CID 135125853
CID 135126580
CID 135126580
CID 135137838
CID 135137838
CID 142622757
CID 142622757
CID 142622771
CID 142622771
CID 142622776
CID 142622776
CID 142622781
CID 142622781
CID 142622801
CID 142622801
CID 142622805
CID 142622805
CID 142622811
CID 142622811
CID 142622817
CID 142622817

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide (CID 155632639) is N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ncc(F)cc3F)CC2)nc1.
What is the InChIKey of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is HWNNEIISAVOEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N5O2Si/c1-21(2,3)31(4,5)30-16-6-7-18(24-14-16)26-20(29)28-10-8-27(9-11-28)19-17(23)12-15(22)13-25-19/h6-7,12-14H,8-11H2,1-5H3,(H,24,26,29).
What are the key properties of N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide?
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(3,5-difluoro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.49, 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-difluoro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 155632639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).