5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline

C13H12N4 — CID 82512845

IUPAC5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
SMILESCc1ccc(-n2cnc3cccnc32)cc1N
InChIInChI=1S/C13H12N4/c1-9-4-5-10(7-11(9)14)17-8-16-12-3-2-6-15-13(12)17/h2-8H,14H2,1H3
InChIKeyOVELDUMYTCCFGJ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.31
Rot. Bonds1

About 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline

5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline (PubChem CID 82512845) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline.

Molecular Properties

Compound Name5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
PubChem CID82512845
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
SMILESCc1ccc(-n2cnc3cccnc32)cc1N
InChIInChI=1S/C13H12N4/c1-9-4-5-10(7-11(9)14)17-8-16-12-3-2-6-15-13(12)17/h2-8H,14H2,1H3
InChIKeyOVELDUMYTCCFGJ-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.31
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

2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
CID 82512905
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850
3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 141330064
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylaniline
CID 63758337
1-(3-amino-4-methylphenyl)quinazolin-4-one
CID 82513868
2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
CID 162335938
4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
CID 82513914
4-(5-methylimidazo[4,5-b]pyridin-3-yl)aniline
CID 130424570
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
imidazo[4,5-b]pyridin-3-amine
CID 69402235
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline?
The IUPAC name of 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline (CID 82512845) is 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline.
What is the SMILES notation for 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline?
The canonical SMILES for 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline is Cc1ccc(-n2cnc3cccnc32)cc1N.
What is the InChIKey of 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline?
The InChIKey is OVELDUMYTCCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-4-5-10(7-11(9)14)17-8-16-12-3-2-6-15-13(12)17/h2-8H,14H2,1H3.
What are the key properties of 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline?
5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline has a molecular weight of 224.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline is sourced from PubChem (CID 82512845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).