(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide

C17H14N4O — CID 29291437

IUPAC(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NCc1ccccn1
InChIInChI=1S/C17H14N4O/c22-17(20-11-13-5-3-4-10-18-13)9-8-14-12-19-15-6-1-2-7-16(15)21-14/h1-10,12H,11H2,(H,20,22)/b9-8+
InChIKeyVRLANQXJDPVLGM-CMDGGOBGSA-N
MW290.33 g/mol
LogP2.35
Rot. Bonds4

About (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 29291437) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID29291437
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)NCc1ccccn1
InChIInChI=1S/C17H14N4O/c22-17(20-11-13-5-3-4-10-18-13)9-8-14-12-19-15-6-1-2-7-16(15)21-14/h1-10,12H,11H2,(H,20,22)/b9-8+
InChIKeyVRLANQXJDPVLGM-CMDGGOBGSA-N
XLogP2.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide (CID 29291437) is (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)NCc1ccccn1.
What is the InChIKey of (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is VRLANQXJDPVLGM-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(20-11-13-5-3-4-10-18-13)9-8-14-12-19-15-6-1-2-7-16(15)21-14/h1-10,12H,11H2,(H,20,22)/b9-8+.
What are the key properties of (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 290.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(pyridin-2-ylmethyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 29291437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).