6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile

C23H17N3O — CID 90644883

IUPAC6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C23H17N3O/c1-15-20(19-13-12-18(14-24)23(27)26-19)21(16-8-4-2-5-9-16)22(25-15)17-10-6-3-7-11-17/h2-13,25H,1H3,(H,26,27)
InChIKeyXNNGIWMVYSKXIW-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.88
Rot. Bonds3

About 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 90644883) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID90644883
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C23H17N3O/c1-15-20(19-13-12-18(14-24)23(27)26-19)21(16-8-4-2-5-9-16)22(25-15)17-10-6-3-7-11-17/h2-13,25H,1H3,(H,26,27)
InChIKeyXNNGIWMVYSKXIW-UHFFFAOYSA-N
XLogP4.88
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 90644883) is 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XNNGIWMVYSKXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-15-20(19-13-12-18(14-24)23(27)26-19)21(16-8-4-2-5-9-16)22(25-15)17-10-6-3-7-11-17/h2-13,25H,1H3,(H,26,27).
What are the key properties of 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 90644883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).