tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate

C19H21N5O4 — CID 135142500

IUPACtert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccc(-c2ccc3nonc3c2)n1
InChIInChI=1S/C19H21N5O4/c1-19(2,3)27-18(26)21-10-9-20-17(25)15-6-4-5-13(22-15)12-7-8-14-16(11-12)24-28-23-14/h4-8,11H,9-10H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyYKXIYRILOROEEL-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.54
Rot. Bonds5

About tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate (PubChem CID 135142500) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate
PubChem CID135142500
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Nametert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccc(-c2ccc3nonc3c2)n1
InChIInChI=1S/C19H21N5O4/c1-19(2,3)27-18(26)21-10-9-20-17(25)15-6-4-5-13(22-15)12-7-8-14-16(11-12)24-28-23-14/h4-8,11H,9-10H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyYKXIYRILOROEEL-UHFFFAOYSA-N
XLogP2.54
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate
CID 66815923
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
tert-butyl N-[2-[(6-chloropyrimidine-4-carbonyl)amino]ethyl]carbamate
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tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate
CID 135140889
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
CID 107711346
tert-butyl N-[2-[[3-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]pyrazine-2-carbonyl]amino]ethyl]carbamate
CID 141213739
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate (CID 135142500) is tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cccc(-c2ccc3nonc3c2)n1.
What is the InChIKey of tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate?
The InChIKey is YKXIYRILOROEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-19(2,3)27-18(26)21-10-9-20-17(25)15-6-4-5-13(22-15)12-7-8-14-16(11-12)24-28-23-14/h4-8,11H,9-10H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate has a molecular weight of 383.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-(2,1,3-benzoxadiazol-5-yl)pyridine-2-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 135142500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).