N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine

C18H14N2O — CID 52949707

IUPACN-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-20-15-10-11-19-18-17(15)14-8-4-5-9-16(14)21-18/h1-11H,12H2,(H,19,20)
InChIKeyUHJXGMZSUQNCOU-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.59
Rot. Bonds3

About N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine

N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 52949707) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID52949707
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC NameN-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-20-15-10-11-19-18-17(15)14-8-4-5-9-16(14)21-18/h1-11H,12H2,(H,19,20)
InChIKeyUHJXGMZSUQNCOU-UHFFFAOYSA-N
XLogP4.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine (CID 52949707) is N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine is c1ccc(CNc2ccnc3oc4ccccc4c23)cc1.
What is the InChIKey of N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is UHJXGMZSUQNCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-20-15-10-11-19-18-17(15)14-8-4-5-9-16(14)21-18/h1-11H,12H2,(H,19,20).
What are the key properties of N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine?
N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 52949707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).