4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

C17H12N2OS — CID 19656648

IUPAC4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)s1
InChIInChI=1S/C17H12N2OS/c1-11-7-8-16(21-11)13-9-15(12-5-3-2-4-6-12)19-17(20)14(13)10-18/h2-9H,1H3,(H,19,20)
InChIKeyGXIWLRPJHCSMSS-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.95
Rot. Bonds2

About 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 19656648) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID19656648
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)s1
InChIInChI=1S/C17H12N2OS/c1-11-7-8-16(21-11)13-9-15(12-5-3-2-4-6-12)19-17(20)14(13)10-18/h2-9H,1H3,(H,19,20)
InChIKeyGXIWLRPJHCSMSS-UHFFFAOYSA-N
XLogP3.95
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656656
6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656658
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 19656861
4-(4-tert-butylphenyl)-6-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657131
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
4-(4-bromo-5-methylthiophen-2-yl)-6-(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656675
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 13088650
4-(2,5-dimethylthiophen-3-yl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657109
4-(4-bromo-5-methylthiophen-2-yl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656683

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 19656648) is 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is GXIWLRPJHCSMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-7-8-16(21-11)13-9-15(12-5-3-2-4-6-12)19-17(20)14(13)10-18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).