4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile

C13H9N5 — CID 91973425

IUPAC4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
SMILESN#Cc1nc(N)c(C#N)c(N)c1-c1ccccc1
InChIInChI=1S/C13H9N5/c14-6-9-12(16)11(8-4-2-1-3-5-8)10(7-15)18-13(9)17/h1-5H,(H4,16,17,18)
InChIKeyCIKZTJKESZFVIL-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.66
Rot. Bonds1

About 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile

4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile (PubChem CID 91973425) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile.

Molecular Properties

Compound Name4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
PubChem CID91973425
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
SMILESN#Cc1nc(N)c(C#N)c(N)c1-c1ccccc1
InChIInChI=1S/C13H9N5/c14-6-9-12(16)11(8-4-2-1-3-5-8)10(7-15)18-13(9)17/h1-5H,(H4,16,17,18)
InChIKeyCIKZTJKESZFVIL-UHFFFAOYSA-N
XLogP1.66
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile?
The IUPAC name of 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile (CID 91973425) is 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile.
What is the SMILES notation for 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile?
The canonical SMILES for 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile is N#Cc1nc(N)c(C#N)c(N)c1-c1ccccc1.
What is the InChIKey of 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile?
The InChIKey is CIKZTJKESZFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-6-9-12(16)11(8-4-2-1-3-5-8)10(7-15)18-13(9)17/h1-5H,(H4,16,17,18).
What are the key properties of 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile?
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile is sourced from PubChem (CID 91973425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).