3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile

C14H11N3 — CID 4114741

IUPAC3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
SMILESN#CC(=C(N)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H11N3/c15-10-12(13-8-4-5-9-17-13)14(16)11-6-2-1-3-7-11/h1-9H,16H2
InChIKeyTXNREZNAWHNHEA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.43
Rot. Bonds2

About 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile

3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 4114741) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
PubChem CID4114741
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
SMILESN#CC(=C(N)c1ccccc1)c1ccccn1
InChIInChI=1S/C14H11N3/c15-10-12(13-8-4-5-9-17-13)14(16)11-6-2-1-3-7-11/h1-9H,16H2
InChIKeyTXNREZNAWHNHEA-UHFFFAOYSA-N
XLogP2.43
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-2-phenyl-3-pyrimidin-2-ylprop-2-enenitrile
CID 114553080
2-(2,2-dibromo-1-phenylethenyl)pyridine
CID 139230167
3-pyridin-2-ylbut-3-enenitrile
CID 14046525
benzoic acid;pyridine-2-carboxamide
CID 67821051
(E)-3-hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 142292151
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
2-phenyl-2-pyridin-2-ylethenimine
CID 139237404
1-pyridin-2-ylethenylhydrazine
CID 170235415
2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-pyridin-2-ylprop-2-enenitrile
CID 5124444
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
pyridine-2-carbothioamide;hydrochloride
CID 57440257
N'-aminopyridine-2-carboximidamide
CID 5464234

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile (CID 4114741) is 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile is N#CC(=C(N)c1ccccc1)c1ccccn1.
What is the InChIKey of 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is TXNREZNAWHNHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-10-12(13-8-4-5-9-17-13)14(16)11-6-2-1-3-7-11/h1-9H,16H2.
What are the key properties of 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile?
3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 221.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 4114741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).