2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile

C26H22N4 — CID 14170742

IUPAC2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1c2c(c(C(C#N)c3ccccn3)c3c1CCC3)CCC2
InChIInChI=1S/C26H22N4/c27-15-21(23-11-1-3-13-29-23)25-17-7-5-9-19(17)26(20-10-6-8-18(20)25)22(16-28)24-12-2-4-14-30-24/h1-4,11-14,21-22H,5-10H2
InChIKeyMOCJKBFKZOMKBZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.76
Rot. Bonds4

About 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile

2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile (PubChem CID 14170742) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile
PubChem CID14170742
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1c2c(c(C(C#N)c3ccccn3)c3c1CCC3)CCC2
InChIInChI=1S/C26H22N4/c27-15-21(23-11-1-3-13-29-23)25-17-7-5-9-19(17)26(20-10-6-8-18(20)25)22(16-28)24-12-2-4-14-30-24/h1-4,11-14,21-22H,5-10H2
InChIKeyMOCJKBFKZOMKBZ-UHFFFAOYSA-N
XLogP4.76
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile with MolForge

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Related Compounds

2,2-dipyridin-2-ylacetonitrile
CID 14006057
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
CID 10704351
2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile
CID 10536387
2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
CID 11346899
2-[2-(cycloheptylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
CID 11312842
2-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridin-2-ylacetonitrile
CID 4188937
(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile
CID 163153177
2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
CID 163153176
2-[cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
CID 21143900
2-pyridin-2-ylbutanenitrile
CID 12520509
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439

Frequently Asked Questions

What is the IUPAC name of 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile (CID 14170742) is 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile is N#CC(c1ccccn1)c1c2c(c(C(C#N)c3ccccn3)c3c1CCC3)CCC2.
What is the InChIKey of 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile?
The InChIKey is MOCJKBFKZOMKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c27-15-21(23-11-1-3-13-29-23)25-17-7-5-9-19(17)26(20-10-6-8-18(20)25)22(16-28)24-12-2-4-14-30-24/h1-4,11-14,21-22H,5-10H2.
What are the key properties of 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile?
2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile has a molecular weight of 390.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 14170742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).