tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate

C25H40N2O3Si — CID 164566876

IUPACtert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(C#CC2CCC(CO[Si](C)(C)C(C)(C)C)CC2)c1
InChIInChI=1S/C25H40N2O3Si/c1-24(2,3)30-23(28)27-22-15-16-26-21(17-22)14-13-19-9-11-20(12-10-19)18-29-31(7,8)25(4,5)6/h15-17,19-20H,9-12,18H2,1-8H3,(H,26,27,28)
InChIKeyDHTGXTUFTCUMRY-UHFFFAOYSA-N
MW444.69 g/mol
LogP6.61
Rot. Bonds4

About tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate

tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate (PubChem CID 164566876) has the molecular formula C25H40N2O3Si and a molecular weight of 444.69 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate
PubChem CID164566876
Molecular FormulaC25H40N2O3Si
Molecular Weight444.69 g/mol
Exact Mass444.28
IUPAC Nametert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(C#CC2CCC(CO[Si](C)(C)C(C)(C)C)CC2)c1
InChIInChI=1S/C25H40N2O3Si/c1-24(2,3)30-23(28)27-22-15-16-26-21(17-22)14-13-19-9-11-20(12-10-19)18-29-31(7,8)25(4,5)6/h15-17,19-20H,9-12,18H2,1-8H3,(H,26,27,28)
InChIKeyDHTGXTUFTCUMRY-UHFFFAOYSA-N
XLogP6.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate 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

tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
ethyl 2-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-6-yl]propan-2-yloxy]acetate
CID 155752034
[6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-3-pyridinyl]carbamic acid
CID 174107198
tert-butyl N-[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-fluoro-3-pyridinyl]carbamate
CID 46318074
tert-butyl N-(2-piperidin-3-yl-4-pyridinyl)carbamate
CID 132550440
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
tert-butyl 4-[2-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]ethynyl]piperidine-1-carboxylate
CID 90408676
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide
CID 175600460
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pent-2-enoic acid
CID 175357023
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate (CID 164566876) is tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccnc(C#CC2CCC(CO[Si](C)(C)C(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate?
The InChIKey is DHTGXTUFTCUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O3Si/c1-24(2,3)30-23(28)27-22-15-16-26-21(17-22)14-13-19-9-11-20(12-10-19)18-29-31(7,8)25(4,5)6/h15-17,19-20H,9-12,18H2,1-8H3,(H,26,27,28).
What are the key properties of tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate?
tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate has a molecular weight of 444.69 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethynyl]-4-pyridinyl]carbamate is sourced from PubChem (CID 164566876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).