2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

C13H12N6 — CID 3643325

IUPAC2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCCC2)c1C#N
InChIInChI=1S/C13H12N6/c14-4-3-9-10(7-15)12(17)18-13(11(9)8-16)19-5-1-2-6-19/h1-3,5-6H2,(H2,17,18)
InChIKeyQOIDVKYCLCYPMD-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 3643325) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID3643325
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#CCc1c(C#N)c(N)nc(N2CCCC2)c1C#N
InChIInChI=1S/C13H12N6/c14-4-3-9-10(7-15)12(17)18-13(11(9)8-16)19-5-1-2-6-19/h1-3,5-6H2,(H2,17,18)
InChIKeyQOIDVKYCLCYPMD-UHFFFAOYSA-N
XLogP1.07
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile (CID 3643325) is 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is N#CCc1c(C#N)c(N)nc(N2CCCC2)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is QOIDVKYCLCYPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-4-3-9-10(7-15)12(17)18-13(11(9)8-16)19-5-1-2-6-19/h1-3,5-6H2,(H2,17,18).
What are the key properties of 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3643325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).