N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine

C17H13N3O — CID 52942862

IUPACN-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1cncc(CNc2ccnc3oc4ccccc4c23)c1
InChIInChI=1S/C17H13N3O/c1-2-6-15-13(5-1)16-14(7-9-19-17(16)21-15)20-11-12-4-3-8-18-10-12/h1-10H,11H2,(H,19,20)
InChIKeyFQXJHVSIVATGJG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.99
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine

N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 52942862) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID52942862
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1cncc(CNc2ccnc3oc4ccccc4c23)c1
InChIInChI=1S/C17H13N3O/c1-2-6-15-13(5-1)16-14(7-9-19-17(16)21-15)20-11-12-4-3-8-18-10-12/h1-10H,11H2,(H,19,20)
InChIKeyFQXJHVSIVATGJG-UHFFFAOYSA-N
XLogP3.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine (CID 52942862) is N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine is c1cncc(CNc2ccnc3oc4ccccc4c23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is FQXJHVSIVATGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-6-15-13(5-1)16-14(7-9-19-17(16)21-15)20-11-12-4-3-8-18-10-12/h1-10H,11H2,(H,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 52942862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).