(Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile

C16H15N3 — CID 6277064

IUPAC(Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1
InChIInChI=1S/C16H15N3/c1-19(2)15-8-6-13(7-9-15)11-14(12-17)16-5-3-4-10-18-16/h3-11H,1-2H3/b14-11+
InChIKeyJLKPGLWLONIGGN-SDNWHVSQSA-N
MW249.32 g/mol
LogP3.21
Rot. Bonds3

About (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 6277064) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile
PubChem CID6277064
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name(Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1
InChIInChI=1S/C16H15N3/c1-19(2)15-8-6-13(7-9-15)11-14(12-17)16-5-3-4-10-18-16/h3-11H,1-2H3/b14-11+
InChIKeyJLKPGLWLONIGGN-SDNWHVSQSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile (CID 6277064) is (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile is CN(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1.
What is the InChIKey of (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is JLKPGLWLONIGGN-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H15N3/c1-19(2)15-8-6-13(7-9-15)11-14(12-17)16-5-3-4-10-18-16/h3-11H,1-2H3/b14-11+.
What are the key properties of (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 249.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(dimethylamino)phenyl]-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 6277064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).