4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile

C15H17N5 — CID 64900506

IUPAC4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
SMILESCN(c1c(C#N)nnc2ccccc12)C1CCCNC1
InChIInChI=1S/C15H17N5/c1-20(11-5-4-8-17-10-11)15-12-6-2-3-7-13(12)18-19-14(15)9-16/h2-3,6-7,11,17H,4-5,8,10H2,1H3
InChIKeyRBTPCIYGKIBYMW-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.69
Rot. Bonds2

About 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile

4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile (PubChem CID 64900506) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
PubChem CID64900506
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
SMILESCN(c1c(C#N)nnc2ccccc12)C1CCCNC1
InChIInChI=1S/C15H17N5/c1-20(11-5-4-8-17-10-11)15-12-6-2-3-7-13(12)18-19-14(15)9-16/h2-3,6-7,11,17H,4-5,8,10H2,1H3
InChIKeyRBTPCIYGKIBYMW-UHFFFAOYSA-N
XLogP1.69
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile (CID 64900506) is 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile is CN(c1c(C#N)nnc2ccccc12)C1CCCNC1.
What is the InChIKey of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
The InChIKey is RBTPCIYGKIBYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(11-5-4-8-17-10-11)15-12-6-2-3-7-13(12)18-19-14(15)9-16/h2-3,6-7,11,17H,4-5,8,10H2,1H3.
What are the key properties of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 64900506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).