tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate

C13H17N3O2 — CID 18926411

IUPACtert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
SMILESCCc1nc(NC(=O)OC(C)(C)C)ccc1C#N
InChIInChI=1S/C13H17N3O2/c1-5-10-9(8-14)6-7-11(15-10)16-12(17)18-13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeySDTDQMYFVNLOGH-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate

tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate (PubChem CID 18926411) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
PubChem CID18926411
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
SMILESCCc1nc(NC(=O)OC(C)(C)C)ccc1C#N
InChIInChI=1S/C13H17N3O2/c1-5-10-9(8-14)6-7-11(15-10)16-12(17)18-13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeySDTDQMYFVNLOGH-UHFFFAOYSA-N
XLogP2.86
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
tert-butyl N-(5-cyano-6-oxo-1H-pyridazin-3-yl)carbamate
CID 167740929
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
CID 113046746
tert-butyl N-(5-bromo-6-nitro-2-pyridinyl)carbamate
CID 56924569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate (CID 18926411) is tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate is CCc1nc(NC(=O)OC(C)(C)C)ccc1C#N.
What is the InChIKey of tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate?
The InChIKey is SDTDQMYFVNLOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-10-9(8-14)6-7-11(15-10)16-12(17)18-13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate?
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 2.86, 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-cyano-6-ethyl-2-pyridinyl)carbamate is sourced from PubChem (CID 18926411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).