2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile

C14H14N6O — CID 4533416

IUPAC2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCCC(O)C2)c1C#N
InChIInChI=1S/C14H14N6O/c15-4-3-10-11(6-16)13(18)19-14(12(10)7-17)20-5-1-2-9(21)8-20/h9,21H,1-3,5,8H2,(H2,18,19)
InChIKeyQDLQQZLBGTXWHQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.43
Rot. Bonds2

About 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile (PubChem CID 4533416) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile
PubChem CID4533416
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCCC(O)C2)c1C#N
InChIInChI=1S/C14H14N6O/c15-4-3-10-11(6-16)13(18)19-14(12(10)7-17)20-5-1-2-9(21)8-20/h9,21H,1-3,5,8H2,(H2,18,19)
InChIKeyQDLQQZLBGTXWHQ-UHFFFAOYSA-N
XLogP0.43
TPSA133.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile
CID 3457115
2-Amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
CID 4615395
3,5-Pyridinedicarbonitrile, 2-amino-4-(cyanomethyl)-6-(diethylamino)-
CID 730216
2-Amino-4-(cyanomethyl)-6-(4-formylpiperazin-1-yl)pyridine-3,5-dicarbonitrile
CID 3371158
2-Amino-4-(cyanomethyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3,5-dicarbonitrile
CID 4408902
3-(3-hydroxypropylamino)-7-methyl-1-(pentylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 1828022
2-Amino-6-(2-hydroxyethylamine)pyridine-3,5-dicarbonitrile
CID 49864036
2-Amino-6-(4-hydroxy-piperidin-1''-yl)pyridine-3,5-dicarbonitrile
CID 49864035
6-((2-Hydroxyethyl)amino)-4-methyl-2-(4-methylpiperazin-1-yl)nicotinonitrile
CID 53368791
2-((2-Hydroxyethyl)(methyl)amino)-4-methyl-6-morpholinonicotinonitrile
CID 53370332
2-(Bis(2-hydroxyethyl)amino)-4-methyl-6-(piperidin-1-yl)nicotinonitrile
CID 53371194
2-Amino-6-(4-morpholinyl)-3,5-pyridinedicarbonitrile
CID 10353764

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile (CID 4533416) is 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile is N#CCc1c(C#N)c(N)nc(N2CCCC(O)C2)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is QDLQQZLBGTXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-4-3-10-11(6-16)13(18)19-14(12(10)7-17)20-5-1-2-9(21)8-20/h9,21H,1-3,5,8H2,(H2,18,19).
What are the key properties of 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 282.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).