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

C21H24N6 — CID 70687043

IUPAC2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NCCC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C21H24N6/c22-13-18-12-19(14-23)21(26-20(18)24)25-9-6-16-7-10-27(11-8-16)15-17-4-2-1-3-5-17/h1-5,12,16H,6-11,15H2,(H3,24,25,26)
InChIKeyPNZGBLIDSQOOGI-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.12
Rot. Bonds6

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

2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile (PubChem CID 70687043) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile
PubChem CID70687043
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NCCC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C21H24N6/c22-13-18-12-19(14-23)21(26-20(18)24)25-9-6-16-7-10-27(11-8-16)15-17-4-2-1-3-5-17/h1-5,12,16H,6-11,15H2,(H3,24,25,26)
InChIKeyPNZGBLIDSQOOGI-UHFFFAOYSA-N
XLogP3.12
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile (CID 70687043) is 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(NCCC2CCN(Cc3ccccc3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile?
The InChIKey is PNZGBLIDSQOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c22-13-18-12-19(14-23)21(26-20(18)24)25-9-6-16-7-10-27(11-8-16)15-17-4-2-1-3-5-17/h1-5,12,16H,6-11,15H2,(H3,24,25,26).
What are the key properties of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile?
2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile has a molecular weight of 360.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70687043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).