2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile

C13H12N6O — CID 4615395

IUPAC2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCOCC2)c1C#N
InChIInChI=1S/C13H12N6O/c14-2-1-9-10(7-15)12(17)18-13(11(9)8-16)19-3-5-20-6-4-19/h1,3-6H2,(H2,17,18)
InChIKeyPJUMWCNIQWNQFY-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.31
Rot. Bonds2

About 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile (PubChem CID 4615395) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
PubChem CID4615395
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCOCC2)c1C#N
InChIInChI=1S/C13H12N6O/c14-2-1-9-10(7-15)12(17)18-13(11(9)8-16)19-3-5-20-6-4-19/h1,3-6H2,(H2,17,18)
InChIKeyPJUMWCNIQWNQFY-UHFFFAOYSA-N
XLogP0.31
TPSA122.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
3,4,5-Pyridinetricarbonitrile, 2-amino-6-(dimethylamino)-
CID 265404
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
1-Ethyl-3-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658975
7-cyclohexyl-3-(4-morpholinyl)-1-(1-piperidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 657650
7-Methyl-1-(morpholin-4-yl)-3-(piperidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 657712
7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658426
2-Amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile
CID 2999153
2-Amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile
CID 3457115
AN-584/43420507
CID 3643325
6-Methyl-2-morpholino-4-(trifluoromethyl)nicotinonitrile
CID 3789900
2-Amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile
CID 4533416

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile (CID 4615395) is 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile is N#CCc1c(C#N)c(N)nc(N2CCOCC2)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
The InChIKey is PJUMWCNIQWNQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-2-1-9-10(7-15)12(17)18-13(11(9)8-16)19-3-5-20-6-4-19/h1,3-6H2,(H2,17,18).
What are the key properties of 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile has a molecular weight of 268.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4615395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).