2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile

C27H21N5 — CID 86127447

IUPAC2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(NCc2ccccc2)nc(NCc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C27H21N5/c28-16-23-25(22-14-8-3-9-15-22)24(17-29)27(31-19-21-12-6-2-7-13-21)32-26(23)30-18-20-10-4-1-5-11-20/h1-15H,18-19H2,(H2,30,31,32)
InChIKeyBLJYWQJKSJEVMD-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.72
Rot. Bonds7

About 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile

2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 86127447) has the molecular formula C27H21N5 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID86127447
Molecular FormulaC27H21N5
Molecular Weight415.50 g/mol
Exact Mass415.18
IUPAC Name2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(NCc2ccccc2)nc(NCc2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C27H21N5/c28-16-23-25(22-14-8-3-9-15-22)24(17-29)27(31-19-21-12-6-2-7-13-21)32-26(23)30-18-20-10-4-1-5-11-20/h1-15H,18-19H2,(H2,30,31,32)
InChIKeyBLJYWQJKSJEVMD-UHFFFAOYSA-N
XLogP5.72
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile (CID 86127447) is 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(NCc2ccccc2)nc(NCc2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is BLJYWQJKSJEVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5/c28-16-23-25(22-14-8-3-9-15-22)24(17-29)27(31-19-21-12-6-2-7-13-21)32-26(23)30-18-20-10-4-1-5-11-20/h1-15H,18-19H2,(H2,30,31,32).
What are the key properties of 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile?
2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 415.50 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(benzylamino)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 86127447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).