2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile

C31H35N7 — CID 73352249

IUPAC2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H35N7/c32-20-26-19-27(21-33)31(35-29-13-17-38(18-14-29)23-25-9-5-2-6-10-25)36-30(26)34-28-11-15-37(16-12-28)22-24-7-3-1-4-8-24/h1-10,19,28-29H,11-18,22-23H2,(H2,34,35,36)
InChIKeyOXQRMHHRDWXOPE-UHFFFAOYSA-N
MW505.67 g/mol
LogP4.98
Rot. Bonds8

About 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile

2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile (PubChem CID 73352249) has the molecular formula C31H35N7 and a molecular weight of 505.67 g/mol. Its IUPAC name is 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile
PubChem CID73352249
Molecular FormulaC31H35N7
Molecular Weight505.67 g/mol
Exact Mass505.30
IUPAC Name2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H35N7/c32-20-26-19-27(21-33)31(35-29-13-17-38(18-14-29)23-25-9-5-2-6-10-25)36-30(26)34-28-11-15-37(16-12-28)22-24-7-3-1-4-8-24/h1-10,19,28-29H,11-18,22-23H2,(H2,34,35,36)
InChIKeyOXQRMHHRDWXOPE-UHFFFAOYSA-N
XLogP4.98
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.67
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile (CID 73352249) is 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile?
The InChIKey is OXQRMHHRDWXOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7/c32-20-26-19-27(21-33)31(35-29-13-17-38(18-14-29)23-25-9-5-2-6-10-25)36-30(26)34-28-11-15-37(16-12-28)22-24-7-3-1-4-8-24/h1-10,19,28-29H,11-18,22-23H2,(H2,34,35,36).
What are the key properties of 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile?
2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile has a molecular weight of 505.67 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(1-benzylpiperidin-4-yl)amino]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 73352249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).