4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile

C21H15N3O — CID 19656594

IUPAC4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCn1cccc1-c1cc(-c2ccc3ccccc3c2)[nH]c(=O)c1C#N
InChIInChI=1S/C21H15N3O/c1-24-10-4-7-20(24)17-12-19(23-21(25)18(17)13-22)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3,(H,23,25)
InChIKeyJFKPYUPNILNSNJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.07
Rot. Bonds2

About 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile

4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656594) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656594
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCn1cccc1-c1cc(-c2ccc3ccccc3c2)[nH]c(=O)c1C#N
InChIInChI=1S/C21H15N3O/c1-24-10-4-7-20(24)17-12-19(23-21(25)18(17)13-22)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3,(H,23,25)
InChIKeyJFKPYUPNILNSNJ-UHFFFAOYSA-N
XLogP4.07
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile (CID 19656594) is 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile is Cn1cccc1-c1cc(-c2ccc3ccccc3c2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JFKPYUPNILNSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c1-24-10-4-7-20(24)17-12-19(23-21(25)18(17)13-22)16-9-8-14-5-2-3-6-15(14)11-16/h2-12H,1H3,(H,23,25).
What are the key properties of 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile?
4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).