tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate

C17H27N3O4 — CID 77241045

IUPACtert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate
SMILESCCC1OC(c2ccncc2N)CC(NC(=O)OC(C)(C)C)C1O
InChIInChI=1S/C17H27N3O4/c1-5-13-15(21)12(20-16(22)24-17(2,3)4)8-14(23-13)10-6-7-19-9-11(10)18/h6-7,9,12-15,21H,5,8,18H2,1-4H3,(H,20,22)
InChIKeyLYNRLCAJTDESMW-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate

tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate (PubChem CID 77241045) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate
PubChem CID77241045
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate
SMILESCCC1OC(c2ccncc2N)CC(NC(=O)OC(C)(C)C)C1O
InChIInChI=1S/C17H27N3O4/c1-5-13-15(21)12(20-16(22)24-17(2,3)4)8-14(23-13)10-6-7-19-9-11(10)18/h6-7,9,12-15,21H,5,8,18H2,1-4H3,(H,20,22)
InChIKeyLYNRLCAJTDESMW-UHFFFAOYSA-N
XLogP2.16
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[6-(3-amino-4-pyridinyl)-2-cyclopropyl-3-hydroxy-3-methyloxan-4-yl]carbamate
CID 77241039
tert-butyl N-[(1R,2R)-5-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamate
CID 59455656
tert-butyl 2-[(2S,3R,4R,6S)-6-(3-amino-4-pyridinyl)-3-hydroxy-2,3-dimethyloxan-4-yl]acetate
CID 157330908
[(2S,3S,4S)-6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxy-3-methyloxan-4-yl] acetate
CID 163914863
(2R,3S,4S,6R)-6-(3-amino-4-pyridinyl)-2-ethyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]oxane-3-carbonitrile
CID 67208347
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
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
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate (CID 77241045) is tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate is CCC1OC(c2ccncc2N)CC(NC(=O)OC(C)(C)C)C1O.
What is the InChIKey of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate?
The InChIKey is LYNRLCAJTDESMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-13-15(21)12(20-16(22)24-17(2,3)4)8-14(23-13)10-6-7-19-9-11(10)18/h6-7,9,12-15,21H,5,8,18H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate?
tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(3-amino-4-pyridinyl)-2-ethyl-3-hydroxyoxan-4-yl]carbamate is sourced from PubChem (CID 77241045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).