tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate

C15H22N4O2 — CID 23562613

IUPACtert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCn1cnc2cccnc21
InChIInChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)17-8-4-5-10-19-11-18-12-7-6-9-16-13(12)19/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyHSOMNYWPPPLSLU-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.74
Rot. Bonds5

About tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate

tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate (PubChem CID 23562613) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
PubChem CID23562613
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCn1cnc2cccnc21
InChIInChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)17-8-4-5-10-19-11-18-12-7-6-9-16-13(12)19/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,20)
InChIKeyHSOMNYWPPPLSLU-UHFFFAOYSA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-2-sulfonic acid
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tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate (CID 23562613) is tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate is CC(C)(C)OC(=O)NCCCCn1cnc2cccnc21.
What is the InChIKey of tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate?
The InChIKey is HSOMNYWPPPLSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)17-8-4-5-10-19-11-18-12-7-6-9-16-13(12)19/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate?
tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate has a molecular weight of 290.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate is sourced from PubChem (CID 23562613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).