3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile

C14H20N4 — CID 82812732

IUPAC3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCC1(C)CCN(c2nccc(C#N)c2N)CC1
InChIInChI=1S/C14H20N4/c1-3-14(2)5-8-18(9-6-14)13-12(16)11(10-15)4-7-17-13/h4,7H,3,5-6,8-9,16H2,1-2H3
InChIKeyDYXXSCFDEMSTNL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.55
Rot. Bonds2

About 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile

3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 82812732) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID82812732
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCC1(C)CCN(c2nccc(C#N)c2N)CC1
InChIInChI=1S/C14H20N4/c1-3-14(2)5-8-18(9-6-14)13-12(16)11(10-15)4-7-17-13/h4,7H,3,5-6,8-9,16H2,1-2H3
InChIKeyDYXXSCFDEMSTNL-UHFFFAOYSA-N
XLogP2.55
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)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 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile (CID 82812732) is 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile is CCC1(C)CCN(c2nccc(C#N)c2N)CC1.
What is the InChIKey of 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is DYXXSCFDEMSTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-14(2)5-8-18(9-6-14)13-12(16)11(10-15)4-7-17-13/h4,7H,3,5-6,8-9,16H2,1-2H3.
What are the key properties of 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile?
3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 82812732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).