6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile

C13H18N4 — CID 114695618

IUPAC6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CCCNC2C)n1
InChIInChI=1S/C13H18N4/c1-9-5-6-11(8-14)13(16-9)17-12-4-3-7-15-10(12)2/h5-6,10,12,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyPUSQXXGHRHUTTI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.81
Rot. Bonds2

About 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile

6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 114695618) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID114695618
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CCCNC2C)n1
InChIInChI=1S/C13H18N4/c1-9-5-6-11(8-14)13(16-9)17-12-4-3-7-15-10(12)2/h5-6,10,12,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyPUSQXXGHRHUTTI-UHFFFAOYSA-N
XLogP1.81
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile (CID 114695618) is 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NC2CCCNC2C)n1.
What is the InChIKey of 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is PUSQXXGHRHUTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-5-6-11(8-14)13(16-9)17-12-4-3-7-15-10(12)2/h5-6,10,12,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile?
6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 114695618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).