5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile

C11H8N4O — CID 90261250

IUPAC5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2c[nH]c(=O)c(N)c2)c1
InChIInChI=1S/C11H8N4O/c12-3-7-1-8(5-14-4-7)9-2-10(13)11(16)15-6-9/h1-2,4-6H,13H2,(H,15,16)
InChIKeyAODZDEMQDAOGTC-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.89
Rot. Bonds1

About 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile

5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile (PubChem CID 90261250) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile
PubChem CID90261250
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2c[nH]c(=O)c(N)c2)c1
InChIInChI=1S/C11H8N4O/c12-3-7-1-8(5-14-4-7)9-2-10(13)11(16)15-6-9/h1-2,4-6H,13H2,(H,15,16)
InChIKeyAODZDEMQDAOGTC-UHFFFAOYSA-N
XLogP0.89
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile (CID 90261250) is 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2c[nH]c(=O)c(N)c2)c1.
What is the InChIKey of 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile?
The InChIKey is AODZDEMQDAOGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-3-7-1-8(5-14-4-7)9-2-10(13)11(16)15-6-9/h1-2,4-6H,13H2,(H,15,16).
What are the key properties of 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile?
5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 90261250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).