2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline

C15H16N4O — CID 115411352

IUPAC2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
SMILESCCn1c(-c2cc(OC)ccc2N)nc2cccnc21
InChIInChI=1S/C15H16N4O/c1-3-19-14(18-13-5-4-8-17-15(13)19)11-9-10(20-2)6-7-12(11)16/h4-9H,3,16H2,1-2H3
InChIKeyHZPPBZFFTFRCIJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.71
Rot. Bonds3

About 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline

2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline (PubChem CID 115411352) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
PubChem CID115411352
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
SMILESCCn1c(-c2cc(OC)ccc2N)nc2cccnc21
InChIInChI=1S/C15H16N4O/c1-3-19-14(18-13-5-4-8-17-15(13)19)11-9-10(20-2)6-7-12(11)16/h4-9H,3,16H2,1-2H3
InChIKeyHZPPBZFFTFRCIJ-UHFFFAOYSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline?
The IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline (CID 115411352) is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline?
The canonical SMILES for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline is CCn1c(-c2cc(OC)ccc2N)nc2cccnc21.
What is the InChIKey of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline?
The InChIKey is HZPPBZFFTFRCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19-14(18-13-5-4-8-17-15(13)19)11-9-10(20-2)6-7-12(11)16/h4-9H,3,16H2,1-2H3.
What are the key properties of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline?
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline has a molecular weight of 268.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline is sourced from PubChem (CID 115411352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).