1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile

C9H11N3O — CID 126981949

IUPAC1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile
SMILESCC(N)Cn1cc(C#N)ccc1=O
InChIInChI=1S/C9H11N3O/c1-7(11)5-12-6-8(4-10)2-3-9(12)13/h2-3,6-7H,5,11H2,1H3
InChIKeyZBZLKPDTJYATNG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.07
Rot. Bonds2

About 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile

1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile (PubChem CID 126981949) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile
PubChem CID126981949
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile
SMILESCC(N)Cn1cc(C#N)ccc1=O
InChIInChI=1S/C9H11N3O/c1-7(11)5-12-6-8(4-10)2-3-9(12)13/h2-3,6-7H,5,11H2,1H3
InChIKeyZBZLKPDTJYATNG-UHFFFAOYSA-N
XLogP0.07
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile (CID 126981949) is 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile is CC(N)Cn1cc(C#N)ccc1=O.
What is the InChIKey of 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile?
The InChIKey is ZBZLKPDTJYATNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(11)5-12-6-8(4-10)2-3-9(12)13/h2-3,6-7H,5,11H2,1H3.
What are the key properties of 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile?
1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 126981949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).