2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

C13H13N5 — CID 79820939

IUPAC2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1cccc(Cc2nc3nc(N)ccc3[nH]2)c1
InChIInChI=1S/C13H13N5/c14-9-3-1-2-8(6-9)7-12-16-10-4-5-11(15)17-13(10)18-12/h1-6H,7,14H2,(H3,15,16,17,18)
InChIKeyGDHOWDQSLOWMIQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.71
Rot. Bonds2

About 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79820939) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79820939
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1cccc(Cc2nc3nc(N)ccc3[nH]2)c1
InChIInChI=1S/C13H13N5/c14-9-3-1-2-8(6-9)7-12-16-10-4-5-11(15)17-13(10)18-12/h1-6H,7,14H2,(H3,15,16,17,18)
InChIKeyGDHOWDQSLOWMIQ-UHFFFAOYSA-N
XLogP1.71
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.71
H-Bond Donors ≤ 53
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-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79820939) is 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is Nc1cccc(Cc2nc3nc(N)ccc3[nH]2)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GDHOWDQSLOWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-9-3-1-2-8(6-9)7-12-16-10-4-5-11(15)17-13(10)18-12/h1-6H,7,14H2,(H3,15,16,17,18).
What are the key properties of 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 239.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).