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

C14H20N4 — CID 63234581

IUPAC4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCN1CCC(CN(C)c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H20N4/c1-17-7-4-12(5-8-17)11-18(2)14-3-6-16-13(9-14)10-15/h3,6,9,12H,4-5,7-8,11H2,1-2H3
InChIKeyJXEBOXFZJWWYEH-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.73
Rot. Bonds3

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

4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 63234581) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
PubChem CID63234581
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCN1CCC(CN(C)c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H20N4/c1-17-7-4-12(5-8-17)11-18(2)14-3-6-16-13(9-14)10-15/h3,6,9,12H,4-5,7-8,11H2,1-2H3
InChIKeyJXEBOXFZJWWYEH-UHFFFAOYSA-N
XLogP1.73
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile (CID 63234581) is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile is CN1CCC(CN(C)c2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is JXEBOXFZJWWYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-7-4-12(5-8-17)11-18(2)14-3-6-16-13(9-14)10-15/h3,6,9,12H,4-5,7-8,11H2,1-2H3.
What are the key properties of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile?
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 63234581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).