2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile

C21H14N2S — CID 15133262

IUPAC2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1nc(-c2cccs2)cc(-c2cccc3ccccc23)c1C#N
InChIInChI=1S/C21H14N2S/c1-14-19(13-22)18(12-20(23-14)21-10-5-11-24-21)17-9-4-7-15-6-2-3-8-16(15)17/h2-12H,1H3
InChIKeyHHYKYHRDNQUMEC-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.81
Rot. Bonds2

About 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile

2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 15133262) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID15133262
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCc1nc(-c2cccs2)cc(-c2cccc3ccccc23)c1C#N
InChIInChI=1S/C21H14N2S/c1-14-19(13-22)18(12-20(23-14)21-10-5-11-24-21)17-9-4-7-15-6-2-3-8-16(15)17/h2-12H,1H3
InChIKeyHHYKYHRDNQUMEC-UHFFFAOYSA-N
XLogP5.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
2-tert-butyl-6-naphthalen-1-ylbenzonitrile
CID 90264129
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
2-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754784
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
4-phenyl-2-thiophen-2-ylquinoline
CID 8966250
2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 166594866
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile (CID 15133262) is 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile is Cc1nc(-c2cccs2)cc(-c2cccc3ccccc23)c1C#N.
What is the InChIKey of 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is HHYKYHRDNQUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-14-19(13-22)18(12-20(23-14)21-10-5-11-24-21)17-9-4-7-15-6-2-3-8-16(15)17/h2-12H,1H3.
What are the key properties of 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile?
2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 326.42 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-yl-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 15133262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).