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

C15H16N4 — CID 63758337

IUPAC5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
SMILESCCn1c(-c2ccc(C)c(N)c2)nc2cccnc21
InChIInChI=1S/C15H16N4/c1-3-19-14(11-7-6-10(2)12(16)9-11)18-13-5-4-8-17-15(13)19/h4-9H,3,16H2,1-2H3
InChIKeyKCPVQKQYGYXHSZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.01
Rot. Bonds2

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

5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline (PubChem CID 63758337) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
PubChem CID63758337
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
SMILESCCn1c(-c2ccc(C)c(N)c2)nc2cccnc21
InChIInChI=1S/C15H16N4/c1-3-19-14(11-7-6-10(2)12(16)9-11)18-13-5-4-8-17-15(13)19/h4-9H,3,16H2,1-2H3
InChIKeyKCPVQKQYGYXHSZ-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.01
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

5-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63757128
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)phenol
CID 63757136
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
CID 115411353
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
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
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
CID 82333570
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2,5,6-trifluorophenol
CID 63757477
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710
5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
CID 82512845
2-methyl-5-pyrido[2,3-b]pyrazin-3-ylaniline
CID 141174884

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline?
The IUPAC name of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline (CID 63758337) is 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline is CCn1c(-c2ccc(C)c(N)c2)nc2cccnc21.
What is the InChIKey of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline?
The InChIKey is KCPVQKQYGYXHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-19-14(11-7-6-10(2)12(16)9-11)18-13-5-4-8-17-15(13)19/h4-9H,3,16H2,1-2H3.
What are the key properties of 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline?
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline has a molecular weight of 252.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline is sourced from PubChem (CID 63758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).