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

C15H18N6 — CID 3985021

IUPAC2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile
SMILESCCCN(CCC)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C15H18N6/c1-3-7-21(8-4-2)15-13(10-18)11(5-6-16)12(9-17)14(19)20-15/h3-5,7-8H2,1-2H3,(H2,19,20)
InChIKeyTVURVHGOPCCBDD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.10
Rot. Bonds6

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

2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile (PubChem CID 3985021) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile
PubChem CID3985021
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile
SMILESCCCN(CCC)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C15H18N6/c1-3-7-21(8-4-2)15-13(10-18)11(5-6-16)12(9-17)14(19)20-15/h3-5,7-8H2,1-2H3,(H2,19,20)
InChIKeyTVURVHGOPCCBDD-UHFFFAOYSA-N
XLogP2.10
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile (CID 3985021) is 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile is CCCN(CCC)c1nc(N)c(C#N)c(CC#N)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile?
The InChIKey is TVURVHGOPCCBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-7-21(8-4-2)15-13(10-18)11(5-6-16)12(9-17)14(19)20-15/h3-5,7-8H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(dipropylamino)pyridine-3,5-dicarbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.10, 6 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-(dipropylamino)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3985021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).