tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate

C10H14N2O3 — CID 90795841

IUPACtert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CC=NC(=O)C1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-8(13)6-7/h4-5H,6H2,1-3H3,(H,12,14)
InChIKeyPQXSHXZUXYEITC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.40
Rot. Bonds1

About tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate

tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate (PubChem CID 90795841) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate
PubChem CID90795841
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CC=NC(=O)C1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-8(13)6-7/h4-5H,6H2,1-3H3,(H,12,14)
InChIKeyPQXSHXZUXYEITC-UHFFFAOYSA-N
XLogP1.40
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-thiophen-3-ylcarbamate
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tert-butyl N-(4-aminothiophen-3-yl)carbamate
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tert-butyl N-(3,5-dioxocyclohexyl)carbamate
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tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
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tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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CID 146155648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate (CID 90795841) is tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate is CC(C)(C)OC(=O)NC1=CC=NC(=O)C1.
What is the InChIKey of tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate?
The InChIKey is PQXSHXZUXYEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-8(13)6-7/h4-5H,6H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate?
tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate has a molecular weight of 210.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-3H-pyridin-4-yl)carbamate is sourced from PubChem (CID 90795841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).