2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine

C13H20N4O — CID 79816192

IUPAC2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2nc(OCC)ccc2[nH]1
InChIInChI=1S/C13H20N4O/c1-4-14-8-9(3)12-15-10-6-7-11(18-5-2)16-13(10)17-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyMXMREXYUPOECIL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds6

About 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine

2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine (PubChem CID 79816192) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine
PubChem CID79816192
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2nc(OCC)ccc2[nH]1
InChIInChI=1S/C13H20N4O/c1-4-14-8-9(3)12-15-10-6-7-11(18-5-2)16-13(10)17-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyMXMREXYUPOECIL-UHFFFAOYSA-N
XLogP2.07
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine (CID 79816192) is 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine is CCNCC(C)c1nc2nc(OCC)ccc2[nH]1.
What is the InChIKey of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine?
The InChIKey is MXMREXYUPOECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-14-8-9(3)12-15-10-6-7-11(18-5-2)16-13(10)17-12/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine?
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79816192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).