2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile

C11H8N4O — CID 103520095

IUPAC2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccn(Cc2ncccn2)c1=O
InChIInChI=1S/C11H8N4O/c12-7-9-3-1-6-15(11(9)16)8-10-13-4-2-5-14-10/h1-6H,8H2
InChIKeyZVOWSHQYUDBHIT-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.56
Rot. Bonds2

About 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile

2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile (PubChem CID 103520095) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
PubChem CID103520095
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccn(Cc2ncccn2)c1=O
InChIInChI=1S/C11H8N4O/c12-7-9-3-1-6-15(11(9)16)8-10-13-4-2-5-14-10/h1-6H,8H2
InChIKeyZVOWSHQYUDBHIT-UHFFFAOYSA-N
XLogP0.56
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile (CID 103520095) is 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile is N#Cc1cccn(Cc2ncccn2)c1=O.
What is the InChIKey of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is ZVOWSHQYUDBHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-7-9-3-1-6-15(11(9)16)8-10-13-4-2-5-14-10/h1-6H,8H2.
What are the key properties of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile?
2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 103520095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).