2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile

C13H12N4 — CID 60725697

IUPAC2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCc1cccnc1
InChIInChI=1S/C13H12N4/c14-9-12-4-2-7-16-13(12)17-8-5-11-3-1-6-15-10-11/h1-4,6-7,10H,5,8H2,(H,16,17)
InChIKeyVAJWQEHEAGNXGY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds4

About 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile

2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile (PubChem CID 60725697) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
PubChem CID60725697
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCc1cccnc1
InChIInChI=1S/C13H12N4/c14-9-12-4-2-7-16-13(12)17-8-5-11-3-1-6-15-10-11/h1-4,6-7,10H,5,8H2,(H,16,17)
InChIKeyVAJWQEHEAGNXGY-UHFFFAOYSA-N
XLogP2.00
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile (CID 60725697) is 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile is N#Cc1cccnc1NCCc1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile?
The InChIKey is VAJWQEHEAGNXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-12-4-2-7-16-13(12)17-8-5-11-3-1-6-15-10-11/h1-4,6-7,10H,5,8H2,(H,16,17).
What are the key properties of 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile?
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 60725697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).