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

C12H16N2O3 — CID 69108642

IUPACtert-butyl N-(2-acetyl-4-pyridinyl)carbamate
SMILESCC(=O)c1cc(NC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C12H16N2O3/c1-8(15)10-7-9(5-6-13-10)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,13,14,16)
InChIKeyRDKJLWPNYGAWFU-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.63
Rot. Bonds2

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

tert-butyl N-(2-acetyl-4-pyridinyl)carbamate (PubChem CID 69108642) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is tert-butyl N-(2-acetyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-acetyl-4-pyridinyl)carbamate
PubChem CID69108642
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nametert-butyl N-(2-acetyl-4-pyridinyl)carbamate
SMILESCC(=O)c1cc(NC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C12H16N2O3/c1-8(15)10-7-9(5-6-13-10)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,13,14,16)
InChIKeyRDKJLWPNYGAWFU-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 167764039
tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pent-2-enoic acid
CID 175357023
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-(4-acetyl-2-pyridinyl)carbamate;tert-butyl N-(4-methoxy-2-pyridinyl)carbamate
CID 158085434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-acetyl-4-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-acetyl-4-pyridinyl)carbamate (CID 69108642) is tert-butyl N-(2-acetyl-4-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-acetyl-4-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-acetyl-4-pyridinyl)carbamate is CC(=O)c1cc(NC(=O)OC(C)(C)C)ccn1.
What is the InChIKey of tert-butyl N-(2-acetyl-4-pyridinyl)carbamate?
The InChIKey is RDKJLWPNYGAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)10-7-9(5-6-13-10)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,13,14,16).
What are the key properties of tert-butyl N-(2-acetyl-4-pyridinyl)carbamate?
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-acetyl-4-pyridinyl)carbamate is sourced from PubChem (CID 69108642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).