2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile

C24H18N6 — CID 25124014

IUPAC2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C2CC(c3cc(C#N)ccn3)CC(c3cc(C#N)ccn3)C2)c1
InChIInChI=1S/C24H18N6/c25-13-16-1-4-28-22(7-16)19-10-20(23-8-17(14-26)2-5-29-23)12-21(11-19)24-9-18(15-27)3-6-30-24/h1-9,19-21H,10-12H2
InChIKeySGEAXVIZFUBXFK-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.32
Rot. Bonds3

About 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile

2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile (PubChem CID 25124014) has the molecular formula C24H18N6 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile
PubChem CID25124014
Molecular FormulaC24H18N6
Molecular Weight390.45 g/mol
Exact Mass390.16
IUPAC Name2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C2CC(c3cc(C#N)ccn3)CC(c3cc(C#N)ccn3)C2)c1
InChIInChI=1S/C24H18N6/c25-13-16-1-4-28-22(7-16)19-10-20(23-8-17(14-26)2-5-29-23)12-21(11-19)24-9-18(15-27)3-6-30-24/h1-9,19-21H,10-12H2
InChIKeySGEAXVIZFUBXFK-UHFFFAOYSA-N
XLogP4.32
TPSA110.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-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

2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
CID 25124332
2-[(2-aminocyclopropyl)amino]pyridine-4-carbonitrile
CID 43598882
2-methylpyridine-4-carbonitrile
CID 118703758
2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
CID 129021795
2-[3,5-bis(4-methoxy-2-pyridinyl)cyclohexyl]-4-methoxypyridine
CID 25124333
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487092
2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126955003

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile (CID 25124014) is 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile is N#Cc1ccnc(C2CC(c3cc(C#N)ccn3)CC(c3cc(C#N)ccn3)C2)c1.
What is the InChIKey of 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile?
The InChIKey is SGEAXVIZFUBXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6/c25-13-16-1-4-28-22(7-16)19-10-20(23-8-17(14-26)2-5-29-23)12-21(11-19)24-9-18(15-27)3-6-30-24/h1-9,19-21H,10-12H2.
What are the key properties of 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile?
2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile has a molecular weight of 390.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile is sourced from PubChem (CID 25124014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).