3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile

C14H14N4 — CID 103467281

IUPAC3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
SMILESCC(Nc1ccc(N)c(C#N)n1)c1ccccc1
InChIInChI=1S/C14H14N4/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)13(9-15)18-14/h2-8,10H,16H2,1H3,(H,17,18)
InChIKeyMEXQOMHXGHUGHP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.71
Rot. Bonds3

About 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile

3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile (PubChem CID 103467281) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
PubChem CID103467281
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
SMILESCC(Nc1ccc(N)c(C#N)n1)c1ccccc1
InChIInChI=1S/C14H14N4/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)13(9-15)18-14/h2-8,10H,16H2,1H3,(H,17,18)
InChIKeyMEXQOMHXGHUGHP-UHFFFAOYSA-N
XLogP2.71
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile (CID 103467281) is 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile is CC(Nc1ccc(N)c(C#N)n1)c1ccccc1.
What is the InChIKey of 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile?
The InChIKey is MEXQOMHXGHUGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(16)13(9-15)18-14/h2-8,10H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile?
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103467281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).