tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate

C17H25N3O4S — CID 100733186

IUPACtert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1
InChIInChI=1S/C17H25N3O4S/c1-17(2,3)24-16(22)19-8-7-18-15(21)12-4-5-14(20-10-12)23-13-6-9-25-11-13/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyBEOHWBRANHJMHB-CYBMUJFWSA-N
MW367.47 g/mol
LogP2.22
Rot. Bonds6

About tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate (PubChem CID 100733186) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
PubChem CID100733186
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Nametert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1
InChIInChI=1S/C17H25N3O4S/c1-17(2,3)24-16(22)19-8-7-18-15(21)12-4-5-14(20-10-12)23-13-6-9-25-11-13/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyBEOHWBRANHJMHB-CYBMUJFWSA-N
XLogP2.22
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[6-[(3S)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733178
N-(1-hydroxy-2-methylpropan-2-yl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731769
N-(1-hydroxy-2-methylpropan-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625368
ethyl 4-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 66761492
N-(2,2-dimethoxyethyl)-6-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731809
N-cyclopentyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625371
N-[(4-fluorophenyl)methyl]-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731893
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731866
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
tert-butyl N-[3-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815444
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate (CID 100733186) is tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(O[C@@H]2CCSC2)nc1.
What is the InChIKey of tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is BEOHWBRANHJMHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-17(2,3)24-16(22)19-8-7-18-15(21)12-4-5-14(20-10-12)23-13-6-9-25-11-13/h4-5,10,13H,6-9,11H2,1-3H3,(H,18,21)(H,19,22)/t13-/m1/s1.
What are the key properties of tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 367.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-[(3R)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 100733186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).