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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Related Compounds

2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo(2,3-B)pyridin-4-amine
CID 11553058
3-phenyl-2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-[2-(pyridin-3-yl)ethyl]furo[2,3-b]pyridin-4-amine
CID 11519208
N-[(2S)-oxolan-2-ylmethyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
CID 11603130
3-phenyl-N-[2-(piperazin-1-yl)ethyl]-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}furo[2,3-b]pyridin-4-amine
CID 11620467
2-(4-((2-(4-Morpholinyl)ethyl)oxy)phenyl)-3-phenyl-N-(2-(1-piperazinyl)ethyl)furo[2,3-b]pyridin-4-amine
CID 11635079
{2-[4-(2-Diisopropylamino-ethoxy)-phenyl]-3-phenyl-furo[2,3-b]pyridin-4-yl}-(2-piperazin-1-yl-ethyl)-amine
CID 11663885
3-phenyl-2-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-[2-(pyridin-4-yl)ethyl]furo[2,3-b]pyridin-4-amine
CID 11692100
[1-Cyclohexyl-2-(2,6-dimethyl-phenoxy)-6-methoxy-1H-pyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-yl-methanone
CID 56665266
6-(4-aminofuro[3,2-c]pyridin-3-yl)-N-phenylnaphthalene-1-carboxamide
CID 90644670
N-[4-(2-oxo-8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-1-yl)phenyl]prop-2-enamide
CID 141509623
N-[3-[8-(6-methoxy-3-pyridinyl)-2-oxo-[1]benzofuro[3,2-b]pyridin-1-yl]phenyl]prop-2-enamide
CID 141509629
N-Dibenzofuran-3-yl-nicotinamide
CID 644729

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).