2-(1-phenylethylamino)pyridine-3-carbonitrile

C14H13N3 — CID 14975303

IUPAC2-(1-phenylethylamino)pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)c1ccccc1
InChIInChI=1S/C14H13N3/c1-11(12-6-3-2-4-7-12)17-14-13(10-15)8-5-9-16-14/h2-9,11H,1H3,(H,16,17)
InChIKeyVOECJRQTKLYAPR-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.13
Rot. Bonds3

About 2-(1-phenylethylamino)pyridine-3-carbonitrile

2-(1-phenylethylamino)pyridine-3-carbonitrile (PubChem CID 14975303) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-phenylethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-phenylethylamino)pyridine-3-carbonitrile
PubChem CID14975303
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(1-phenylethylamino)pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)c1ccccc1
InChIInChI=1S/C14H13N3/c1-11(12-6-3-2-4-7-12)17-14-13(10-15)8-5-9-16-14/h2-9,11H,1H3,(H,16,17)
InChIKeyVOECJRQTKLYAPR-UHFFFAOYSA-N
XLogP3.13
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(1-phenylethylamino)pyridine-3-carbonitrile (CID 14975303) is 2-(1-phenylethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-phenylethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-phenylethylamino)pyridine-3-carbonitrile is CC(Nc1ncccc1C#N)c1ccccc1.
What is the InChIKey of 2-(1-phenylethylamino)pyridine-3-carbonitrile?
The InChIKey is VOECJRQTKLYAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11(12-6-3-2-4-7-12)17-14-13(10-15)8-5-9-16-14/h2-9,11H,1H3,(H,16,17).
What are the key properties of 2-(1-phenylethylamino)pyridine-3-carbonitrile?
2-(1-phenylethylamino)pyridine-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 14975303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).