3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile

C15H11N3 — CID 11230037

IUPAC3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(Cc3ccncc3)c2c1
InChIInChI=1S/C15H11N3/c16-9-12-1-2-15-14(8-12)13(10-18-15)7-11-3-5-17-6-4-11/h1-6,8,10,18H,7H2
InChIKeyYFMIFBWJSVAGSP-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.03
Rot. Bonds2

About 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile

3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile (PubChem CID 11230037) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile
PubChem CID11230037
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(Cc3ccncc3)c2c1
InChIInChI=1S/C15H11N3/c16-9-12-1-2-15-14(8-12)13(10-18-15)7-11-3-5-17-6-4-11/h1-6,8,10,18H,7H2
InChIKeyYFMIFBWJSVAGSP-UHFFFAOYSA-N
XLogP3.03
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[4-(pyridin-3-ylmethylamino)butyl]-1H-indole-5-carbonitrile
CID 10470310
3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[(1-ethyl-2H-pyridin-3-yl)methyl]-1H-indole-5-carbonitrile;hydrobromide
CID 174356029
3-[4-[ethyl(pyridin-3-yl)amino]butyl]-1H-indole-5-carbonitrile
CID 10313828
5-bromo-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940837
5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940880
ethyl 4-acetyl-5-[(5-cyano-1H-indol-3-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 22902257

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile (CID 11230037) is 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(Cc3ccncc3)c2c1.
What is the InChIKey of 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile?
The InChIKey is YFMIFBWJSVAGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-9-12-1-2-15-14(8-12)13(10-18-15)7-11-3-5-17-6-4-11/h1-6,8,10,18H,7H2.
What are the key properties of 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile?
3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 11230037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).