2-amino-4-anilinopyridine-3,5-dicarbonitrile

C13H9N5 — CID 745897

IUPAC2-amino-4-anilinopyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(N)c(C#N)c1Nc1ccccc1
InChIInChI=1S/C13H9N5/c14-6-9-8-17-13(16)11(7-15)12(9)18-10-4-2-1-3-5-10/h1-5,8H,(H3,16,17,18)
InChIKeyAWJHJUOKLQXSBR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-4-anilinopyridine-3,5-dicarbonitrile

2-amino-4-anilinopyridine-3,5-dicarbonitrile (PubChem CID 745897) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-4-anilinopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-anilinopyridine-3,5-dicarbonitrile
PubChem CID745897
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name2-amino-4-anilinopyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(N)c(C#N)c1Nc1ccccc1
InChIInChI=1S/C13H9N5/c14-6-9-8-17-13(16)11(7-15)12(9)18-10-4-2-1-3-5-10/h1-5,8H,(H3,16,17,18)
InChIKeyAWJHJUOKLQXSBR-UHFFFAOYSA-N
XLogP2.15
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-anilinopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-anilinopyridine-3,5-dicarbonitrile (CID 745897) is 2-amino-4-anilinopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-anilinopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-anilinopyridine-3,5-dicarbonitrile is N#Cc1cnc(N)c(C#N)c1Nc1ccccc1.
What is the InChIKey of 2-amino-4-anilinopyridine-3,5-dicarbonitrile?
The InChIKey is AWJHJUOKLQXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-6-9-8-17-13(16)11(7-15)12(9)18-10-4-2-1-3-5-10/h1-5,8H,(H3,16,17,18).
What are the key properties of 2-amino-4-anilinopyridine-3,5-dicarbonitrile?
2-amino-4-anilinopyridine-3,5-dicarbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-anilinopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 745897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).