2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile

C13H18N4 — CID 62547856

IUPAC2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
SMILESCN1CCCC(N(C)c2cc(C#N)ccn2)C1
InChIInChI=1S/C13H18N4/c1-16-7-3-4-12(10-16)17(2)13-8-11(9-14)5-6-15-13/h5-6,8,12H,3-4,7,10H2,1-2H3
InChIKeyWMHNNKYXMIHXHV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds2

About 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile

2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 62547856) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
PubChem CID62547856
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
SMILESCN1CCCC(N(C)c2cc(C#N)ccn2)C1
InChIInChI=1S/C13H18N4/c1-16-7-3-4-12(10-16)17(2)13-8-11(9-14)5-6-15-13/h5-6,8,12H,3-4,7,10H2,1-2H3
InChIKeyWMHNNKYXMIHXHV-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

Analyze 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile (CID 62547856) is 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile is CN1CCCC(N(C)c2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is WMHNNKYXMIHXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-7-3-4-12(10-16)17(2)13-8-11(9-14)5-6-15-13/h5-6,8,12H,3-4,7,10H2,1-2H3.
What are the key properties of 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile?
2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-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 2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 62547856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).