tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate

C14H18N4O2 — CID 169467653

IUPACtert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)15-6-4-5-10-7-11-12(16-8-10)18-9-17-11/h4-5,7-9H,6H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyKFKAPRFSMJLOBE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate (PubChem CID 169467653) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate
PubChem CID169467653
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)15-6-4-5-10-7-11-12(16-8-10)18-9-17-11/h4-5,7-9H,6H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyKFKAPRFSMJLOBE-UHFFFAOYSA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazo[4,5-b]pyridin-6-yl)but-3-enyl]acetamide
CID 170488825
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
2-fluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]pyridine-3-carboxylic acid
CID 169467897
tert-butyl N-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169468397
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169466948
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169467243
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
CID 169481908
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]carbamate
CID 169467883
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-3-carboxylic acid
CID 169468298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate (CID 169467653) is tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cnc2nc[nH]c2c1.
What is the InChIKey of tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate?
The InChIKey is KFKAPRFSMJLOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(2,3)20-13(19)15-6-4-5-10-7-11-12(16-8-10)18-9-17-11/h4-5,7-9H,6H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).