tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate

C16H25N3O3 — CID 123505509

IUPACtert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
SMILESC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](c2ccncc2N)O1
InChIInChI=1S/C16H25N3O3/c1-10-7-11(19-15(20)22-16(2,3)4)8-14(21-10)12-5-6-18-9-13(12)17/h5-6,9-11,14H,7-8,17H2,1-4H3,(H,19,20)/t10-,11+,14-/m0/s1
InChIKeyIVUOXSJBKYEJTK-WDMOLILDSA-N
MW307.39 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate

tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate (PubChem CID 123505509) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
PubChem CID123505509
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate
SMILESC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](c2ccncc2N)O1
InChIInChI=1S/C16H25N3O3/c1-10-7-11(19-15(20)22-16(2,3)4)8-14(21-10)12-5-6-18-9-13(12)17/h5-6,9-11,14H,7-8,17H2,1-4H3,(H,19,20)/t10-,11+,14-/m0/s1
InChIKeyIVUOXSJBKYEJTK-WDMOLILDSA-N
XLogP2.80
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate
CID 77241045
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-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate
CID 77241039
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl 2-[(2S,3R,4R,6S)-6-(3-amino-4-pyridinyl)-3-hydroxy-2,3-dimethyloxan-4-yl]acetate
CID 157330908
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)piperidin-4-yl]carbamate
CID 59332173
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;ethane
CID 143755854
tert-butyl N-[(3S,5R)-1-(3-amino-4-pyridinyl)-5-iodopiperidin-3-yl]carbamate
CID 89152155
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl 2-[(2S,4R,4aR,7aS)-2-(3-amino-4-pyridinyl)-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-4-yl]acetate;tert-butyl 2-[(2R,4S,4aS,7aR)-2-(3-amino-4-pyridinyl)-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-4-yl]acetate
CID 162161129

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate (CID 123505509) is tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate is C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](c2ccncc2N)O1.
What is the InChIKey of tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate?
The InChIKey is IVUOXSJBKYEJTK-WDMOLILDSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-7-11(19-15(20)22-16(2,3)4)8-14(21-10)12-5-6-18-9-13(12)17/h5-6,9-11,14H,7-8,17H2,1-4H3,(H,19,20)/t10-,11+,14-/m0/s1.
What are the key properties of tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate?
tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4R,6S)-2-(3-amino-4-pyridinyl)-6-methyloxan-4-yl]carbamate is sourced from PubChem (CID 123505509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).