tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate

C13H18N2O3 — CID 130756012

IUPACtert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
SMILESCC(=O)c1cnc(C)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-8-6-11(10(7-14-8)9(2)16)15-12(17)18-13(3,4)5/h6-7H,1-5H3,(H,14,15,17)
InChIKeyZPNBRALTLHOZGF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate

tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate (PubChem CID 130756012) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
PubChem CID130756012
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
SMILESCC(=O)c1cnc(C)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3/c1-8-6-11(10(7-14-8)9(2)16)15-12(17)18-13(3,4)5/h6-7H,1-5H3,(H,14,15,17)
InChIKeyZPNBRALTLHOZGF-UHFFFAOYSA-N
XLogP2.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
CID 117112095
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
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-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate (CID 130756012) is tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate is CC(=O)c1cnc(C)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate?
The InChIKey is ZPNBRALTLHOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-11(10(7-14-8)9(2)16)15-12(17)18-13(3,4)5/h6-7H,1-5H3,(H,14,15,17).
What are the key properties of tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate?
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate is sourced from PubChem (CID 130756012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).