4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline

C17H20N4 — CID 104501918

IUPAC4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
SMILESCCn1c(CC(C)c2ccc(N)cc2)nc2cccnc21
InChIInChI=1S/C17H20N4/c1-3-21-16(20-15-5-4-10-19-17(15)21)11-12(2)13-6-8-14(18)9-7-13/h4-10,12H,3,11,18H2,1-2H3
InChIKeyRCVPAIRZOXHAJV-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.38
Rot. Bonds4

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

4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline (PubChem CID 104501918) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
PubChem CID104501918
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
SMILESCCn1c(CC(C)c2ccc(N)cc2)nc2cccnc21
InChIInChI=1S/C17H20N4/c1-3-21-16(20-15-5-4-10-19-17(15)21)11-12(2)13-6-8-14(18)9-7-13/h4-10,12H,3,11,18H2,1-2H3
InChIKeyRCVPAIRZOXHAJV-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 81073667
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153994
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine
CID 63757298
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine
CID 112739245
1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylbutan-1-amine
CID 63758341
4-bromo-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 115296275
3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
CID 55241902
2-(1-ethylbenzimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79756634
3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 63757473

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline (CID 104501918) is 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline is CCn1c(CC(C)c2ccc(N)cc2)nc2cccnc21.
What is the InChIKey of 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
The InChIKey is RCVPAIRZOXHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-21-16(20-15-5-4-10-19-17(15)21)11-12(2)13-6-8-14(18)9-7-13/h4-10,12H,3,11,18H2,1-2H3.
What are the key properties of 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline has a molecular weight of 280.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 104501918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).