1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile

C16H13N3 — CID 123248615

IUPAC1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
SMILESCc1c(-c2cccnc2)n(C)c2ccc(C#N)cc12
InChIInChI=1S/C16H13N3/c1-11-14-8-12(9-17)5-6-15(14)19(2)16(11)13-4-3-7-18-10-13/h3-8,10H,1-2H3
InChIKeyCKZDKWLPTKEYBA-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.42
Rot. Bonds1

About 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile

1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile (PubChem CID 123248615) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
PubChem CID123248615
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
SMILESCc1c(-c2cccnc2)n(C)c2ccc(C#N)cc12
InChIInChI=1S/C16H13N3/c1-11-14-8-12(9-17)5-6-15(14)19(2)16(11)13-4-3-7-18-10-13/h3-8,10H,1-2H3
InChIKeyCKZDKWLPTKEYBA-UHFFFAOYSA-N
XLogP3.42
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-2-pyridin-3-ylindole-5-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

1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 58215788
1-(2,2-dimethylpropoxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 59534664
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064655
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
CID 150648077
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
CID 121495989
9-[3-(1,3-benzoxazol-2-yl)-2,4,5-tris(3,6-dicyanocarbazol-9-yl)-6-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 150579006
9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
CID 157324768
3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione
CID 118671589
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile (CID 123248615) is 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile is Cc1c(-c2cccnc2)n(C)c2ccc(C#N)cc12.
What is the InChIKey of 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile?
The InChIKey is CKZDKWLPTKEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-11-14-8-12(9-17)5-6-15(14)19(2)16(11)13-4-3-7-18-10-13/h3-8,10H,1-2H3.
What are the key properties of 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile?
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile is sourced from PubChem (CID 123248615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).