tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate

C14H19N3O2 — CID 130338485

IUPACtert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(C)(C)C#N)nc1
InChIInChI=1S/C14H19N3O2/c1-13(2,3)19-12(18)17-10-6-7-11(16-8-10)14(4,5)9-15/h6-8H,1-5H3,(H,17,18)
InChIKeyIJVPEFUDGBTGHT-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate

tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate (PubChem CID 130338485) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
PubChem CID130338485
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nametert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(C)(C)C#N)nc1
InChIInChI=1S/C14H19N3O2/c1-13(2,3)19-12(18)17-10-6-7-11(16-8-10)14(4,5)9-15/h6-8H,1-5H3,(H,17,18)
InChIKeyIJVPEFUDGBTGHT-UHFFFAOYSA-N
XLogP3.23
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
CID 69433893
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate (CID 130338485) is tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C#N)nc1.
What is the InChIKey of tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate?
The InChIKey is IJVPEFUDGBTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-13(2,3)19-12(18)17-10-6-7-11(16-8-10)14(4,5)9-15/h6-8H,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate?
tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 130338485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).