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

C15H11N3OS — CID 19656592

IUPAC4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCn1cccc1-c1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C15H11N3OS/c1-18-6-2-4-13(18)10-8-12(14-5-3-7-20-14)17-15(19)11(10)9-16/h2-8H,1H3,(H,17,19)
InChIKeyDESFRHOIGFVFSF-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.98
Rot. Bonds2

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

4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 19656592) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID19656592
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCn1cccc1-c1cc(-c2cccs2)[nH]c(=O)c1C#N
InChIInChI=1S/C15H11N3OS/c1-18-6-2-4-13(18)10-8-12(14-5-3-7-20-14)17-15(19)11(10)9-16/h2-8H,1H3,(H,17,19)
InChIKeyDESFRHOIGFVFSF-UHFFFAOYSA-N
XLogP2.98
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 19656592) is 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is Cn1cccc1-c1cc(-c2cccs2)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is DESFRHOIGFVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-18-6-2-4-13(18)10-8-12(14-5-3-7-20-14)17-15(19)11(10)9-16/h2-8H,1H3,(H,17,19).
What are the key properties of 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).