4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile

C16H19N5 — CID 83018198

IUPAC4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
SMILESCC1CCCC(C)N1Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C16H19N5/c1-11-6-5-7-12(2)21(11)20-16-13-8-3-4-9-14(13)18-19-15(16)10-17/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,18,20)
InChIKeyIFRCIEKELLFIJQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds2

About 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile

4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile (PubChem CID 83018198) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
PubChem CID83018198
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
SMILESCC1CCCC(C)N1Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C16H19N5/c1-11-6-5-7-12(2)21(11)20-16-13-8-3-4-9-14(13)18-19-15(16)10-17/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,18,20)
InChIKeyIFRCIEKELLFIJQ-UHFFFAOYSA-N
XLogP3.09
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile (CID 83018198) is 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile is CC1CCCC(C)N1Nc1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile?
The InChIKey is IFRCIEKELLFIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-6-5-7-12(2)21(11)20-16-13-8-3-4-9-14(13)18-19-15(16)10-17/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,18,20).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile?
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 83018198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).