(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide

C19H17N3O3 — CID 2544835

IUPAC(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESC=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C19H17N3O3/c1-3-10-25-16-8-7-14(12-17(16)24-2)11-15(13-20)19(23)22-18-6-4-5-9-21-18/h3-9,11-12H,1,10H2,2H3,(H,21,22,23)/b15-11+
InChIKeyWYRLWHCNSQSKBI-RVDMUPIBSA-N
MW335.36 g/mol
LogP3.20
Rot. Bonds7

About (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide

(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 2544835) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID2544835
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESC=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C19H17N3O3/c1-3-10-25-16-8-7-14(12-17(16)24-2)11-15(13-20)19(23)22-18-6-4-5-9-21-18/h3-9,11-12H,1,10H2,2H3,(H,21,22,23)/b15-11+
InChIKeyWYRLWHCNSQSKBI-RVDMUPIBSA-N
XLogP3.20
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 2544835) is (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide is C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1OC.
What is the InChIKey of (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is WYRLWHCNSQSKBI-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-10-25-16-8-7-14(12-17(16)24-2)11-15(13-20)19(23)22-18-6-4-5-9-21-18/h3-9,11-12H,1,10H2,2H3,(H,21,22,23)/b15-11+.
What are the key properties of (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 335.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 2544835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).