tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate

C22H37N3O3Si — CID 146034032

IUPACtert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C(c2ccncc2N)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37N3O3Si/c1-21(2,3)27-20(26)25-18-13-15(16-11-12-24-14-17(16)23)9-10-19(18)28-29(7,8)22(4,5)6/h11-14,18-19H,9-10,23H2,1-8H3,(H,25,26)/t18-,19-/m0/s1
InChIKeyOURDRLUIMBWCOK-OALUTQOASA-N
MW419.64 g/mol
LogP5.12
Rot. Bonds4

About tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate

tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate (PubChem CID 146034032) has the molecular formula C22H37N3O3Si and a molecular weight of 419.64 g/mol. Its IUPAC name is tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate
PubChem CID146034032
Molecular FormulaC22H37N3O3Si
Molecular Weight419.64 g/mol
Exact Mass419.26
IUPAC Nametert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C(c2ccncc2N)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37N3O3Si/c1-21(2,3)27-20(26)25-18-13-15(16-11-12-24-14-17(16)23)9-10-19(18)28-29(7,8)22(4,5)6/h11-14,18-19H,9-10,23H2,1-8H3,(H,25,26)/t18-,19-/m0/s1
InChIKeyOURDRLUIMBWCOK-OALUTQOASA-N
XLogP5.12
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]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-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-yl]carbamate
CID 59455770
tert-butyl N-[(1R,2R)-5-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamate
CID 59455656
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]carbamate
CID 77419825
tert-butyl N-[1-(3-amino-4-pyridinyl)-6-methylpiperidin-3-yl]carbamate
CID 71007348
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamate
CID 68919438
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
CID 123505509
tert-butyl N-[(2S,4S,4aS,7aS)-2-(3-amino-4-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]carbamate
CID 86682518
tert-butyl N-[(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxoazepan-3-yl]carbamate
CID 11728063

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate (CID 146034032) is tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C=C(c2ccncc2N)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate?
The InChIKey is OURDRLUIMBWCOK-OALUTQOASA-N. The full InChI is InChI=1S/C22H37N3O3Si/c1-21(2,3)27-20(26)25-18-13-15(16-11-12-24-14-17(16)23)9-10-19(18)28-29(7,8)22(4,5)6/h11-14,18-19H,9-10,23H2,1-8H3,(H,25,26)/t18-,19-/m0/s1.
What are the key properties of tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate?
tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate has a molecular weight of 419.64 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,6S)-3-(3-amino-4-pyridinyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]carbamate is sourced from PubChem (CID 146034032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).