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

C22H16N2O — CID 52948511

IUPACN-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1ccc2c(CNc3ccnc4oc5ccccc5c34)cccc2c1
InChIInChI=1S/C22H16N2O/c1-2-9-17-15(6-1)7-5-8-16(17)14-24-19-12-13-23-22-21(19)18-10-3-4-11-20(18)25-22/h1-13H,14H2,(H,23,24)
InChIKeyYYQLLFCNZXWBJQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.75
Rot. Bonds3

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

N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 52948511) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID52948511
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC NameN-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESc1ccc2c(CNc3ccnc4oc5ccccc5c34)cccc2c1
InChIInChI=1S/C22H16N2O/c1-2-9-17-15(6-1)7-5-8-16(17)14-24-19-12-13-23-22-21(19)18-10-3-4-11-20(18)25-22/h1-13H,14H2,(H,23,24)
InChIKeyYYQLLFCNZXWBJQ-UHFFFAOYSA-N
XLogP5.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine (CID 52948511) is N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine is c1ccc2c(CNc3ccnc4oc5ccccc5c34)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is YYQLLFCNZXWBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-9-17-15(6-1)7-5-8-16(17)14-24-19-12-13-23-22-21(19)18-10-3-4-11-20(18)25-22/h1-13H,14H2,(H,23,24).
What are the key properties of N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine?
N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine has a molecular weight of 324.38 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 52948511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).