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

C22H26N6 — CID 70689140

IUPAC2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NCCCC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27)
InChIKeyLQXBMNZBJKBXIZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.51
Rot. Bonds7

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

2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile (PubChem CID 70689140) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile
PubChem CID70689140
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NCCCC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27)
InChIKeyLQXBMNZBJKBXIZ-UHFFFAOYSA-N
XLogP3.51
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile (CID 70689140) is 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(NCCCC2CCN(Cc3ccccc3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile?
The InChIKey is LQXBMNZBJKBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c23-14-19-13-20(15-24)22(27-21(19)25)26-10-4-7-17-8-11-28(12-9-17)16-18-5-2-1-3-6-18/h1-3,5-6,13,17H,4,7-12,16H2,(H3,25,26,27).
What are the key properties of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile?
2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile has a molecular weight of 374.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70689140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).