5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

C14H19N5O — CID 63168667

IUPAC5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H19N5O/c15-8-11-7-12(16)9-17-14(11)19-2-1-13(10-19)18-3-5-20-6-4-18/h7,9,13H,1-6,10,16H2
InChIKeyVRWAGDGLYMCUNZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.45
Rot. Bonds2

About 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 63168667) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID63168667
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H19N5O/c15-8-11-7-12(16)9-17-14(11)19-2-1-13(10-19)18-3-5-20-6-4-18/h7,9,13H,1-6,10,16H2
InChIKeyVRWAGDGLYMCUNZ-UHFFFAOYSA-N
XLogP0.45
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (CID 63168667) is 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is VRWAGDGLYMCUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-8-11-7-12(16)9-17-14(11)19-2-1-13(10-19)18-3-5-20-6-4-18/h7,9,13H,1-6,10,16H2.
What are the key properties of 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 63168667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).