2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide

C18H15N3O2 — CID 3282838

IUPAC2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESC=CCOc1ccccc1C=C(C#N)C(=O)Nc1ccccn1
InChIInChI=1S/C18H15N3O2/c1-2-11-23-16-8-4-3-7-14(16)12-15(13-19)18(22)21-17-9-5-6-10-20-17/h2-10,12H,1,11H2,(H,20,21,22)
InChIKeyWQWHDHZORDLXPY-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.19
Rot. Bonds6

About 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide

2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 3282838) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID3282838
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESC=CCOc1ccccc1C=C(C#N)C(=O)Nc1ccccn1
InChIInChI=1S/C18H15N3O2/c1-2-11-23-16-8-4-3-7-14(16)12-15(13-19)18(22)21-17-9-5-6-10-20-17/h2-10,12H,1,11H2,(H,20,21,22)
InChIKeyWQWHDHZORDLXPY-UHFFFAOYSA-N
XLogP3.19
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 4878324
(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 27103075
2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
CID 154274407
2-cyano-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-prop-2-enoxyphenyl)prop-2-enamide
CID 3879966
(E)-2-cyano-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-prop-2-enoxyphenyl)prop-2-enamide
CID 2062990
(E)-2-(furan-2-carbonyl)-3-(2-prop-2-enoxyphenyl)prop-2-enenitrile
CID 9335898
(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 19206693
2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
CID 5138163
(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24628108
(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide
CID 53331315
(Z)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-iodophenyl)prop-2-enamide
CID 2372130
3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-iodophenyl)prop-2-enamide
CID 5122125

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 3282838) is 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide is C=CCOc1ccccc1C=C(C#N)C(=O)Nc1ccccn1.
What is the InChIKey of 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is WQWHDHZORDLXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-11-23-16-8-4-3-7-14(16)12-15(13-19)18(22)21-17-9-5-6-10-20-17/h2-10,12H,1,11H2,(H,20,21,22).
What are the key properties of 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 3282838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).