3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine

C17H20N4 — CID 63757298

IUPAC3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine
SMILESCCn1c(CCC(N)c2ccccc2)nc2cccnc21
InChIInChI=1S/C17H20N4/c1-2-21-16(20-15-9-6-12-19-17(15)21)11-10-14(18)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,18H2,1H3
InChIKeyJHYQKJHHQQAXGI-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.08
Rot. Bonds5

About 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine

3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine (PubChem CID 63757298) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine
PubChem CID63757298
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine
SMILESCCn1c(CCC(N)c2ccccc2)nc2cccnc21
InChIInChI=1S/C17H20N4/c1-2-21-16(20-15-9-6-12-19-17(15)21)11-10-14(18)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,18H2,1H3
InChIKeyJHYQKJHHQQAXGI-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine (CID 63757298) is 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine is CCn1c(CCC(N)c2ccccc2)nc2cccnc21.
What is the InChIKey of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine?
The InChIKey is JHYQKJHHQQAXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-21-16(20-15-9-6-12-19-17(15)21)11-10-14(18)13-7-4-3-5-8-13/h3-9,12,14H,2,10-11,18H2,1H3.
What are the key properties of 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine?
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 63757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).