2-(2-aminoethylamino)pyridine-3-carbonitrile

C8H10N4 — CID 16767894

IUPAC2-(2-aminoethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCN
InChIInChI=1S/C8H10N4/c9-3-5-12-8-7(6-10)2-1-4-11-8/h1-2,4H,3,5,9H2,(H,11,12)
InChIKeyQTOHKXFRIXKYFU-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-aminoethylamino)pyridine-3-carbonitrile

2-(2-aminoethylamino)pyridine-3-carbonitrile (PubChem CID 16767894) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-(2-aminoethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-aminoethylamino)pyridine-3-carbonitrile
PubChem CID16767894
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-(2-aminoethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCN
InChIInChI=1S/C8H10N4/c9-3-5-12-8-7(6-10)2-1-4-11-8/h1-2,4H,3,5,9H2,(H,11,12)
InChIKeyQTOHKXFRIXKYFU-UHFFFAOYSA-N
XLogP0.32
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-aminoethylamino)pyridine-3-carbonitrile (CID 16767894) is 2-(2-aminoethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-aminoethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-aminoethylamino)pyridine-3-carbonitrile is N#Cc1cccnc1NCCN.
What is the InChIKey of 2-(2-aminoethylamino)pyridine-3-carbonitrile?
The InChIKey is QTOHKXFRIXKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-3-5-12-8-7(6-10)2-1-4-11-8/h1-2,4H,3,5,9H2,(H,11,12).
What are the key properties of 2-(2-aminoethylamino)pyridine-3-carbonitrile?
2-(2-aminoethylamino)pyridine-3-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 16767894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).