tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate

C15H21N3O5 — CID 170731023

IUPACtert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OC2COC2)cn1
InChIInChI=1S/C15H21N3O5/c1-9(19)17-13-5-11(18-14(20)23-15(2,3)4)12(6-16-13)22-10-7-21-8-10/h5-6,10H,7-8H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyKXTYCPWZAQEILV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate

tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate (PubChem CID 170731023) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
PubChem CID170731023
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Nametert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OC2COC2)cn1
InChIInChI=1S/C15H21N3O5/c1-9(19)17-13-5-11(18-14(20)23-15(2,3)4)12(6-16-13)22-10-7-21-8-10/h5-6,10H,7-8H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyKXTYCPWZAQEILV-UHFFFAOYSA-N
XLogP2.16
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
CID 170730479
tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
CID 170730862
tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate
CID 170731235
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
CID 170730393
N-[4-amino-5-(oxetan-3-ylmethoxy)-2-pyridinyl]acetamide
CID 170731146
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
[5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl acetate
CID 155114586
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(oxetan-3-yloxy)pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990787
tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate
CID 176577986

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate (CID 170731023) is tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate is CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OC2COC2)cn1.
What is the InChIKey of tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate?
The InChIKey is KXTYCPWZAQEILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-9(19)17-13-5-11(18-14(20)23-15(2,3)4)12(6-16-13)22-10-7-21-8-10/h5-6,10H,7-8H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate?
tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate is sourced from PubChem (CID 170731023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).