4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile

C22H22N4 — CID 755479

IUPAC4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1nccc(N(Cc2ccccc2)Cc2ccccc2)c1C#N
InChIInChI=1S/C22H22N4/c1-25(2)22-20(15-23)21(13-14-24-22)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3
InChIKeyFSZZPPMHTJCPBD-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.23
Rot. Bonds6

About 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile

4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile (PubChem CID 755479) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
PubChem CID755479
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
SMILESCN(C)c1nccc(N(Cc2ccccc2)Cc2ccccc2)c1C#N
InChIInChI=1S/C22H22N4/c1-25(2)22-20(15-23)21(13-14-24-22)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3
InChIKeyFSZZPPMHTJCPBD-UHFFFAOYSA-N
XLogP4.23
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile (CID 755479) is 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile is CN(C)c1nccc(N(Cc2ccccc2)Cc2ccccc2)c1C#N.
What is the InChIKey of 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile?
The InChIKey is FSZZPPMHTJCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-25(2)22-20(15-23)21(13-14-24-22)26(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-14H,16-17H2,1-2H3.
What are the key properties of 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile?
4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile has a molecular weight of 342.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-2-(dimethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 755479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).