4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline

C13H12N4 — CID 114113127

IUPAC4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCn1c(-c2ccc(N)cc2)nc2ncccc21
InChIInChI=1S/C13H12N4/c1-17-11-3-2-8-15-12(11)16-13(17)9-4-6-10(14)7-5-9/h2-8H,14H2,1H3
InChIKeyAUZOBDVPQZFYHN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.22
Rot. Bonds1

About 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline

4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 114113127) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID114113127
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCn1c(-c2ccc(N)cc2)nc2ncccc21
InChIInChI=1S/C13H12N4/c1-17-11-3-2-8-15-12(11)16-13(17)9-4-6-10(14)7-5-9/h2-8H,14H2,1H3
InChIKeyAUZOBDVPQZFYHN-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile
CID 167882024
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
CID 21260450
4-methyl-5-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 114113082
2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
CID 136756257
3-methyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137004995
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine
CID 167946530
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[2-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
CID 18621426
N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide
CID 135456631
7-methyl-8-phenylpurine
CID 67891584
4-(1,5,7-trimethylbenzimidazol-2-yl)aniline
CID 84634338
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline (CID 114113127) is 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline is Cn1c(-c2ccc(N)cc2)nc2ncccc21.
What is the InChIKey of 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is AUZOBDVPQZFYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-17-11-3-2-8-15-12(11)16-13(17)9-4-6-10(14)7-5-9/h2-8H,14H2,1H3.
What are the key properties of 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline?
4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 224.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 114113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).