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

C13H18N4O — CID 114220686

IUPAC3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESCOC1CCN(c2nccc(C#N)c2N)C(C)C1
InChIInChI=1S/C13H18N4O/c1-9-7-11(18-2)4-6-17(9)13-12(15)10(8-14)3-5-16-13/h3,5,9,11H,4,6-7,15H2,1-2H3
InChIKeyILOZSASZTGATGI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds2

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

3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 114220686) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID114220686
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile
SMILESCOC1CCN(c2nccc(C#N)c2N)C(C)C1
InChIInChI=1S/C13H18N4O/c1-9-7-11(18-2)4-6-17(9)13-12(15)10(8-14)3-5-16-13/h3,5,9,11H,4,6-7,15H2,1-2H3
InChIKeyILOZSASZTGATGI-UHFFFAOYSA-N
XLogP1.54
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile (CID 114220686) is 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile is COC1CCN(c2nccc(C#N)c2N)C(C)C1.
What is the InChIKey of 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is ILOZSASZTGATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-7-11(18-2)4-6-17(9)13-12(15)10(8-14)3-5-16-13/h3,5,9,11H,4,6-7,15H2,1-2H3.
What are the key properties of 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile?
3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 114220686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).