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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Related Compounds

4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 79674262
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 105366531
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
CID 104924211
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
CID 113335499
5-amino-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 112624233
4-(3,4-diaminophenyl)morpholine-2-carbonitrile
CID 106750984
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]morpholine-2-carbonitrile
CID 80629448
4-(6-amino-5-nitropyrimidin-4-yl)morpholine-2-carbonitrile
CID 80850134
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910

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).