5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C23H16N4O — CID 45485596

IUPAC5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cc3ccccc3o2)ccc2[nH]ccc12
InChIInChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27)
InChIKeyITOPVUHELOTFOX-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.90
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 45485596) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID45485596
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cc3ccccc3o2)ccc2[nH]ccc12
InChIInChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27)
InChIKeyITOPVUHELOTFOX-UHFFFAOYSA-N
XLogP5.90
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 45485596) is 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2cc3ccccc3o2)ccc2[nH]ccc12.
What is the InChIKey of 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is ITOPVUHELOTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c1-14-17-8-9-26-20(17)7-6-19(14)27-23-16(11-24)12-25-13-18(23)22-10-15-4-2-3-5-21(15)28-22/h2-10,12-13,26H,1H3,(H,25,27).
What are the key properties of 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 5.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 45485596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).