2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

C14H14N4O — CID 81137784

IUPAC2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc(-c2nc3nc(C)ccc3[nH]2)cc1N
InChIInChI=1S/C14H14N4O/c1-8-3-5-11-14(16-8)18-13(17-11)9-4-6-12(19-2)10(15)7-9/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyIDGVEBPUFYVYHI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.52
Rot. Bonds2

About 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 81137784) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID81137784
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc(-c2nc3nc(C)ccc3[nH]2)cc1N
InChIInChI=1S/C14H14N4O/c1-8-3-5-11-14(16-8)18-13(17-11)9-4-6-12(19-2)10(15)7-9/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyIDGVEBPUFYVYHI-UHFFFAOYSA-N
XLogP2.52
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 81137784) is 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is COc1ccc(-c2nc3nc(C)ccc3[nH]2)cc1N.
What is the InChIKey of 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is IDGVEBPUFYVYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-3-5-11-14(16-8)18-13(17-11)9-4-6-12(19-2)10(15)7-9/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 81137784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).