tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate

C15H22N4O2 — CID 86781803

IUPACtert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)c1ccc(C#N)nc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)19(5)9-8-18(4)13-7-6-12(10-16)17-11-13/h6-7,11H,8-9H2,1-5H3
InChIKeyUTHQMHUALZFWDA-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.26
Rot. Bonds4

About tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate (PubChem CID 86781803) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
PubChem CID86781803
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)c1ccc(C#N)nc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)19(5)9-8-18(4)13-7-6-12(10-16)17-11-13/h6-7,11H,8-9H2,1-5H3
InChIKeyUTHQMHUALZFWDA-UHFFFAOYSA-N
XLogP2.26
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(6-cyano-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86814417
tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate
CID 58797775
N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
CID 133358596
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide
CID 146148586
tert-butyl N-[2-[(3-carbamoyl-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 141414305
tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate
CID 164520133
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrimidine-5-carboxylic acid
CID 165463164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate (CID 86781803) is tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate is CN(CCN(C)c1ccc(C#N)nc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is UTHQMHUALZFWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)19(5)9-8-18(4)13-7-6-12(10-16)17-11-13/h6-7,11H,8-9H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 290.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 86781803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).