3-amino-1-(2-cyanophenyl)indole-2-carbonitrile

C16H10N4 — CID 123922564

IUPAC3-amino-1-(2-cyanophenyl)indole-2-carbonitrile
SMILESN#Cc1ccccc1-n1c(C#N)c(N)c2ccccc21
InChIInChI=1S/C16H10N4/c17-9-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)16(19)15(20)10-18/h1-8H,19H2
InChIKeyBDZNAVXAAXPFMT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.96
Rot. Bonds1

About 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile

3-amino-1-(2-cyanophenyl)indole-2-carbonitrile (PubChem CID 123922564) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(2-cyanophenyl)indole-2-carbonitrile
PubChem CID123922564
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name3-amino-1-(2-cyanophenyl)indole-2-carbonitrile
SMILESN#Cc1ccccc1-n1c(C#N)c(N)c2ccccc21
InChIInChI=1S/C16H10N4/c17-9-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)16(19)15(20)10-18/h1-8H,19H2
InChIKeyBDZNAVXAAXPFMT-UHFFFAOYSA-N
XLogP2.96
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
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2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 175004217
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
CID 145009970
2-(3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)benzonitrile
CID 145009901
2-[18,27-bis(2-cyanophenyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 177100785
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile?
The IUPAC name of 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile (CID 123922564) is 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile.
What is the SMILES notation for 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile?
The canonical SMILES for 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile is N#Cc1ccccc1-n1c(C#N)c(N)c2ccccc21.
What is the InChIKey of 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile?
The InChIKey is BDZNAVXAAXPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c17-9-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)16(19)15(20)10-18/h1-8H,19H2.
What are the key properties of 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile?
3-amino-1-(2-cyanophenyl)indole-2-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyanophenyl)indole-2-carbonitrile is sourced from PubChem (CID 123922564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).