2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile

C13H14N6 — CID 730216

IUPAC2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile
SMILESCCN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C13H14N6/c1-3-19(4-2)13-11(8-16)9(5-6-14)10(7-15)12(17)18-13/h3-5H2,1-2H3,(H2,17,18)
InChIKeyXRZHRSJWIHMKKY-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile (PubChem CID 730216) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile
PubChem CID730216
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile
SMILESCCN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C13H14N6/c1-3-19(4-2)13-11(8-16)9(5-6-14)10(7-15)12(17)18-13/h3-5H2,1-2H3,(H2,17,18)
InChIKeyXRZHRSJWIHMKKY-UHFFFAOYSA-N
XLogP1.32
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.32
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-(diethylamino)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile (CID 730216) is 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile is CCN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile?
The InChIKey is XRZHRSJWIHMKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-3-19(4-2)13-11(8-16)9(5-6-14)10(7-15)12(17)18-13/h3-5H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.32, 4 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-(diethylamino)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 730216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).