2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

C21H16N2S — CID 154644696

IUPAC2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCSc1ccc(-c2c(C#N)c(C)nc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H16N2S/c1-13-19(12-22)20(14-7-9-16(24-2)10-8-14)18-11-15-5-3-4-6-17(15)21(18)23-13/h3-10H,11H2,1-2H3
InChIKeyGDMZGAXDYQFIKR-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.22
Rot. Bonds2

About 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 154644696) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID154644696
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCSc1ccc(-c2c(C#N)c(C)nc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H16N2S/c1-13-19(12-22)20(14-7-9-16(24-2)10-8-14)18-11-15-5-3-4-6-17(15)21(18)23-13/h3-10H,11H2,1-2H3
InChIKeyGDMZGAXDYQFIKR-UHFFFAOYSA-N
XLogP5.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-2-methoxy-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 2816368
1-(4-methylphenyl)-9H-indeno[2,1-c]pyridine-4-carbonitrile
CID 135012950
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5230491
2-methyl-4-methylsulfanyl-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile
CID 14689487
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2826301
12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
CID 14448103
4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 13005069
3-(4-methylsulfanylphenyl)-4H-isoquinolin-1-one
CID 69181531
2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
CID 82478583
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile (CID 154644696) is 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile is CSc1ccc(-c2c(C#N)c(C)nc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is GDMZGAXDYQFIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2S/c1-13-19(12-22)20(14-7-9-16(24-2)10-8-14)18-11-15-5-3-4-6-17(15)21(18)23-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 328.44 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 154644696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).