4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile

C11H11N5O — CID 79674180

IUPAC4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
SMILESN#Cc1cc(N)cnc1N1CCOC(C#N)C1
InChIInChI=1S/C11H11N5O/c12-4-8-3-9(14)6-15-11(8)16-1-2-17-10(5-13)7-16/h3,6,10H,1-2,7,14H2
InChIKeyXOGCLMBCEXNKAI-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.26
Rot. Bonds1

About 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile

4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile (PubChem CID 79674180) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
PubChem CID79674180
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
SMILESN#Cc1cc(N)cnc1N1CCOC(C#N)C1
InChIInChI=1S/C11H11N5O/c12-4-8-3-9(14)6-15-11(8)16-1-2-17-10(5-13)7-16/h3,6,10H,1-2,7,14H2
InChIKeyXOGCLMBCEXNKAI-UHFFFAOYSA-N
XLogP0.26
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile (CID 79674180) is 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile is N#Cc1cc(N)cnc1N1CCOC(C#N)C1.
What is the InChIKey of 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is XOGCLMBCEXNKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-4-8-3-9(14)6-15-11(8)16-1-2-17-10(5-13)7-16/h3,6,10H,1-2,7,14H2.
What are the key properties of 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile?
4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).