tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate

C14H20N4O2 — CID 121426940

IUPACtert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)c1cc(C#N)ccn1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)17-7-8-18(4)12-9-11(10-15)5-6-16-12/h5-6,9H,7-8H2,1-4H3,(H,17,19)
InChIKeyZAUKBZWTAPQKHL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds4

About tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate

tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate (PubChem CID 121426940) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
PubChem CID121426940
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)c1cc(C#N)ccn1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)17-7-8-18(4)12-9-11(10-15)5-6-16-12/h5-6,9H,7-8H2,1-4H3,(H,17,19)
InChIKeyZAUKBZWTAPQKHL-UHFFFAOYSA-N
XLogP1.91
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(N-acetyl-4-cyanoanilino)ethyl]carbamate
CID 113064370
tert-butyl N-[2-(4-cyano-2,6-dimethylphenyl)ethyl]carbamate
CID 86663447
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
tert-butyl N-[2-[[4-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-methylamino]ethyl]carbamate
CID 114080800
tert-butyl N-[2-(4-cyano-2-fluorophenyl)ethyl]carbamate
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tert-butyl N-[3-(2-amino-4-cyanophenoxy)propyl]carbamate
CID 130270700
tert-butyl N-[[(2S)-1-(4-cyano-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174201
tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate
CID 139325432
N-butyl-N-(4-cyano-2-pyridinyl)formamide
CID 144779744
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
tert-butyl N-[2-[2-[2-[2-[[2-[(6-cyanoindol-1-yl)methyl]pyridine-4-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162742354

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate (CID 121426940) is tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate is CN(CCNC(=O)OC(C)(C)C)c1cc(C#N)ccn1.
What is the InChIKey of tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate?
The InChIKey is ZAUKBZWTAPQKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)17-7-8-18(4)12-9-11(10-15)5-6-16-12/h5-6,9H,7-8H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate?
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate is sourced from PubChem (CID 121426940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).