tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate

C13H18N4O2 — CID 57366772

IUPACtert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ncccc2[nH]1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)19-12(18)15-8-6-10-16-9-5-4-7-14-11(9)17-10/h4-5,7H,6,8H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyYCYWUTFHHVXNFK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate

tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (PubChem CID 57366772) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
PubChem CID57366772
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nametert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ncccc2[nH]1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)19-12(18)15-8-6-10-16-9-5-4-7-14-11(9)17-10/h4-5,7H,6,8H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyYCYWUTFHHVXNFK-UHFFFAOYSA-N
XLogP2.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[3-[[N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
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tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
CID 102970151
tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
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tert-butyl N-[[(3S)-1-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]carbamate
CID 97174419
tert-butyl N-[[5-(1H-imidazo[4,5-b]pyridin-2-yl)-4-propyl-1,2,4-triazol-3-yl]methyl]carbamate
CID 136722357
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tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
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N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
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tert-butyl N-[4-(3-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170489906
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-benzimidazole-4-carboxylate
CID 66850078
tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (CID 57366772) is tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc2ncccc2[nH]1.
What is the InChIKey of tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The InChIKey is YCYWUTFHHVXNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,3)19-12(18)15-8-6-10-16-9-5-4-7-14-11(9)17-10/h4-5,7H,6,8H2,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 57366772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).