tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate

C14H21N3O3 — CID 167726379

IUPACtert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
SMILESCC1(O)CN(c2ccc(NC(=O)OC(C)(C)C)cn2)C1
InChIInChI=1S/C14H21N3O3/c1-13(2,3)20-12(18)16-10-5-6-11(15-7-10)17-8-14(4,19)9-17/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyBITIPJPCBYKOJS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate

tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate (PubChem CID 167726379) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
PubChem CID167726379
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
SMILESCC1(O)CN(c2ccc(NC(=O)OC(C)(C)C)cn2)C1
InChIInChI=1S/C14H21N3O3/c1-13(2,3)20-12(18)16-10-5-6-11(15-7-10)17-8-14(4,19)9-17/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyBITIPJPCBYKOJS-UHFFFAOYSA-N
XLogP2.00
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate
CID 167742005
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate
CID 151643186
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
CID 130338485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate (CID 167726379) is tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate is CC1(O)CN(c2ccc(NC(=O)OC(C)(C)C)cn2)C1.
What is the InChIKey of tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate?
The InChIKey is BITIPJPCBYKOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-13(2,3)20-12(18)16-10-5-6-11(15-7-10)17-8-14(4,19)9-17/h5-7,19H,8-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate?
tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 167726379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).