5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile

C13H18N4 — CID 113320538

IUPAC5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCN1CCC(N(C)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C13H18N4/c1-16-7-5-12(6-8-16)17(2)13-4-3-11(9-14)15-10-13/h3-4,10,12H,5-8H2,1-2H3
InChIKeyAAAWIVRYJBAQOU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds2

About 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile

5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 113320538) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
PubChem CID113320538
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESCN1CCC(N(C)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C13H18N4/c1-16-7-5-12(6-8-16)17(2)13-4-3-11(9-14)15-10-13/h3-4,10,12H,5-8H2,1-2H3
InChIKeyAAAWIVRYJBAQOU-UHFFFAOYSA-N
XLogP1.48
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile (CID 113320538) is 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile is CN1CCC(N(C)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is AAAWIVRYJBAQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-7-5-12(6-8-16)17(2)13-4-3-11(9-14)15-10-13/h3-4,10,12H,5-8H2,1-2H3.
What are the key properties of 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 113320538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).