tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate

C19H24N6O2 — CID 58230701

IUPACtert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccn1)c1cccc(CCN=[N+]=[N-])n1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)27-18(26)25(14-11-15-7-4-5-12-21-15)17-9-6-8-16(23-17)10-13-22-24-20/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyHAWLKFQSPDRMFM-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.31
Rot. Bonds7

About tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate

tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate (PubChem CID 58230701) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
PubChem CID58230701
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Nametert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccn1)c1cccc(CCN=[N+]=[N-])n1
InChIInChI=1S/C19H24N6O2/c1-19(2,3)27-18(26)25(14-11-15-7-4-5-12-21-15)17-9-6-8-16(23-17)10-13-22-24-20/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyHAWLKFQSPDRMFM-UHFFFAOYSA-N
XLogP4.31
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230695
tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
CID 58230679
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
CID 123588396
3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoylcarbamoyl hydrogen carbonate
CID 22594305
tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate
CID 91325378
tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate
CID 142656048
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
tert-butyl N-[6-(bromomethyl)-2-pyridinyl]-N-(2-hydroxyacetyl)carbamate
CID 89367852
tert-butyl 2-[[6-[6-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate
CID 23248044
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate (CID 58230701) is tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate is CC(C)(C)OC(=O)N(CCc1ccccn1)c1cccc(CCN=[N+]=[N-])n1.
What is the InChIKey of tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate?
The InChIKey is HAWLKFQSPDRMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,3)27-18(26)25(14-11-15-7-4-5-12-21-15)17-9-6-8-16(23-17)10-13-22-24-20/h4-9,12H,10-11,13-14H2,1-3H3.
What are the key properties of tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate?
tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate has a molecular weight of 368.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate is sourced from PubChem (CID 58230701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).