2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

C18H11N3O — CID 2917156

IUPAC2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(oc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)
InChIKeyUBWHQFNUKBGOMJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.10
Rot. Bonds1

About 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (PubChem CID 2917156) has the molecular formula C18H11N3O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
PubChem CID2917156
Molecular FormulaC18H11N3O
Molecular Weight285.31 g/mol
Exact Mass285.09
IUPAC Name2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(oc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21)
InChIKeyUBWHQFNUKBGOMJ-UHFFFAOYSA-N
XLogP4.10
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (CID 2917156) is 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(oc3ccccc32)c1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
The InChIKey is UBWHQFNUKBGOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O/c19-10-13-15(11-6-2-1-3-7-11)17-16(21-18(13)20)12-8-4-5-9-14(12)22-17/h1-9H,(H2,20,21).
What are the key properties of 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?
2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2917156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).