tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate

C11H16N2O3 — CID 91971207

IUPACtert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
SMILESCn1ccc(NC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)12-8-5-6-13(4)9(14)7-8/h5-7H,1-4H3,(H,12,15)
InChIKeyPJIXNGQLZMFOQO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.73
Rot. Bonds1

About tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate

tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate (PubChem CID 91971207) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
PubChem CID91971207
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
SMILESCn1ccc(NC(=O)OC(C)(C)C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)12-8-5-6-13(4)9(14)7-8/h5-7H,1-4H3,(H,12,15)
InChIKeyPJIXNGQLZMFOQO-UHFFFAOYSA-N
XLogP1.73
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(1-methyl-2-oxo-4-pyridinyl)amino]-3-oxopropyl]carbamate
CID 154760852
tert-butyl N-[(2Z)-2-[formyl(methyl)hydrazinylidene]-1-methyl-4-pyridinyl]carbamate
CID 154962683
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
CID 90175973
methyl 1-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrrole-2-carboxylate
CID 135385431
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate (CID 91971207) is tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate is Cn1ccc(NC(=O)OC(C)(C)C)cc1=O.
What is the InChIKey of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate?
The InChIKey is PJIXNGQLZMFOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)12-8-5-6-13(4)9(14)7-8/h5-7H,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate?
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate has a molecular weight of 224.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate is sourced from PubChem (CID 91971207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).