1-(naphthalen-2-ylmethyl)indole-6-carbonitrile

C20H14N2 — CID 91690044

IUPAC1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C20H14N2/c21-13-15-5-8-18-9-10-22(20(18)12-15)14-16-6-7-17-3-1-2-4-19(17)11-16/h1-12H,14H2
InChIKeyDIXHUYKOVUKEAH-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.71
Rot. Bonds2

About 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile

1-(naphthalen-2-ylmethyl)indole-6-carbonitrile (PubChem CID 91690044) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
PubChem CID91690044
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C20H14N2/c21-13-15-5-8-18-9-10-22(20(18)12-15)14-16-6-7-17-3-1-2-4-19(17)11-16/h1-12H,14H2
InChIKeyDIXHUYKOVUKEAH-UHFFFAOYSA-N
XLogP4.71
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(naphthalen-2-ylmethyl)indole-6-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-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
3-[[6-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102913186
3-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546598
1-[(3-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
CID 107916534
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-prop-2-enylindole-6-carbonitrile
CID 107917180
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole
CID 56851732

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile?
The IUPAC name of 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile (CID 91690044) is 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile is N#Cc1ccc2ccn(Cc3ccc4ccccc4c3)c2c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile?
The InChIKey is DIXHUYKOVUKEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c21-13-15-5-8-18-9-10-22(20(18)12-15)14-16-6-7-17-3-1-2-4-19(17)11-16/h1-12H,14H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile?
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)indole-6-carbonitrile is sourced from PubChem (CID 91690044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).