2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile

C15H16N6O — CID 3457115

IUPAC2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCCC(CO)C2)c1C#N
InChIInChI=1S/C15H16N6O/c16-4-3-11-12(6-17)14(19)20-15(13(11)7-18)21-5-1-2-10(8-21)9-22/h10,22H,1-3,5,8-9H2,(H2,19,20)
InChIKeyXPMFPHBVDSPPTL-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile (PubChem CID 3457115) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile
PubChem CID3457115
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCCC(CO)C2)c1C#N
InChIInChI=1S/C15H16N6O/c16-4-3-11-12(6-17)14(19)20-15(13(11)7-18)21-5-1-2-10(8-21)9-22/h10,22H,1-3,5,8-9H2,(H2,19,20)
InChIKeyXPMFPHBVDSPPTL-UHFFFAOYSA-N
XLogP0.68
TPSA133.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile (CID 3457115) is 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile is N#CCc1c(C#N)c(N)nc(N2CCCC(CO)C2)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile?
The InChIKey is XPMFPHBVDSPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-4-3-11-12(6-17)14(19)20-15(13(11)7-18)21-5-1-2-10(8-21)9-22/h10,22H,1-3,5,8-9H2,(H2,19,20).
What are the key properties of 2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile has a molecular weight of 296.33 g/mol, XLogP of 0.68, 3 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-(hydroxymethyl)piperidin-1-yl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3457115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).