6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile

C6H7N3O — CID 10261151

IUPAC6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile
SMILESN#CC1C(=O)CCN=C1N
InChIInChI=1S/C6H7N3O/c7-3-4-5(10)1-2-9-6(4)8/h4H,1-2H2,(H2,8,9)
InChIKeyYUZVYZRPYJIVPS-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.54
Rot. Bonds

About 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile

6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile (PubChem CID 10261151) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile
PubChem CID10261151
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile
SMILESN#CC1C(=O)CCN=C1N
InChIInChI=1S/C6H7N3O/c7-3-4-5(10)1-2-9-6(4)8/h4H,1-2H2,(H2,8,9)
InChIKeyYUZVYZRPYJIVPS-UHFFFAOYSA-N
XLogP-0.54
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile?
The IUPAC name of 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile (CID 10261151) is 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile is N#CC1C(=O)CCN=C1N.
What is the InChIKey of 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile?
The InChIKey is YUZVYZRPYJIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-3-4-5(10)1-2-9-6(4)8/h4H,1-2H2,(H2,8,9).
What are the key properties of 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile?
6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile has a molecular weight of 137.14 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-oxo-3,5-dihydro-2H-pyridine-5-carbonitrile is sourced from PubChem (CID 10261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).