5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile

C12H10N4O — CID 82043796

IUPAC5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cn(Cc2ccccn2)c1=O
InChIInChI=1S/C12H10N4O/c13-6-9-5-10(14)7-16(12(9)17)8-11-3-1-2-4-15-11/h1-5,7H,8,14H2
InChIKeyROQQEGFNVNWROD-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.75
Rot. Bonds2

About 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile

5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile (PubChem CID 82043796) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile
PubChem CID82043796
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cn(Cc2ccccn2)c1=O
InChIInChI=1S/C12H10N4O/c13-6-9-5-10(14)7-16(12(9)17)8-11-3-1-2-4-15-11/h1-5,7H,8,14H2
InChIKeyROQQEGFNVNWROD-UHFFFAOYSA-N
XLogP0.75
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile (CID 82043796) is 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile is N#Cc1cc(N)cn(Cc2ccccn2)c1=O.
What is the InChIKey of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is ROQQEGFNVNWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-6-9-5-10(14)7-16(12(9)17)8-11-3-1-2-4-15-11/h1-5,7H,8,14H2.
What are the key properties of 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile?
5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82043796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).